N-[(3R)-3-[4-[acetamidocarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dichloro-4-methylpyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[pyrrolidin-1-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[1,3-dioxolan-2-ylmethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(5-methyl-1,2-oxazol-3-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide

C103H138Cl7N23O12S4 — CID 157122305

IUPACN-[(3R)-3-[4-[acetamidocarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dichloro-4-methylpyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[pyrrolidin-1-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[1,3-dioxolan-2-ylmethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(5-methyl-1,2-oxazol-3-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide
SMILESCC(=O)NNC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(Cl)nc2Cl)CC1.Cc1cc(Cl)nc(C)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)NN2CCCC2)CC1.Cc1cc(Cl)nc(Cl)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)NCC2OCCO2)CC1.Cc1cc(NC(=O)N(Cc2ccsc2)C2CCN([C@H](C)CCNC(=O)c3c(C)cc(Cl)nc3Cl)CC2)no1
InChIInChI=1S/C27H39ClN6O2S.C26H32Cl2N6O3S.C26H35Cl2N5O4S.C24H32Cl2N6O3S/c1-19-16-24(28)30-21(3)25(19)26(35)29-10-6-20(2)32-13-7-23(8-14-32)34(17-22-9-15-37-18-22)27(36)31-33-11-4-5-12-33;1-16-12-21(27)30-24(28)23(16)25(35)29-8-4-17(2)33-9-5-20(6-10-33)34(14-19-7-11-38-15-19)26(36)31-22-13-18(3)37-32-22;1-17-13-21(27)31-24(28)23(17)25(34)29-7-3-18(2)32-8-4-20(5-9-32)33(15-19-6-12-38-16-19)26(35)30-14-22-36-10-11-37-22;1-15-12-20(25)28-22(26)21(15)23(34)27-8-4-16(2)31-9-5-19(6-10-31)32(13-18-7-11-36-14-18)24(35)30-29-17(3)33/h9,15-16,18,20,23H,4-8,10-14,17H2,1-3H3,(H,29,35)(H,31,36);7,11-13,15,17,20H,4-6,8-10,14H2,1-3H3,(H,29,35)(H,31,32,36);6,12-13,16,18,20,22H,3-5,7-11,14-15H2,1-2H3,(H,29,34)(H,30,35);7,11-12,14,16,19H,4-6,8-10,13H2,1-3H3,(H,27,34)(H,29,33)(H,30,35)/t20-;17-;18-;16-/m1111/s1
InChIKeyAICOLJSLNGVQFH-OWNJXTJHSA-N
MW2266.82 g/mol
LogP18.68
Rot. Bonds36

About N-[(3R)-3-[4-[acetamidocarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dichloro-4-methylpyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[pyrrolidin-1-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[1,3-dioxolan-2-ylmethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(5-methyl-1,2-oxazol-3-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide

N-[(3R)-3-[4-[acetamidocarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dichloro-4-methylpyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[pyrrolidin-1-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[1,3-dioxolan-2-ylmethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(5-methyl-1,2-oxazol-3-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide (PubChem CID 157122305) has the molecular formula C103H138Cl7N23O12S4 and a molecular weight of 2266.82 g/mol. Its IUPAC name is N-[(3R)-3-[4-[acetamidocarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dichloro-4-methylpyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[pyrrolidin-1-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[1,3-dioxolan-2-ylmethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(5-methyl-1,2-oxazol-3-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3R)-3-[4-[acetamidocarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dichloro-4-methylpyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[pyrrolidin-1-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[1,3-dioxolan-2-ylmethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(5-methyl-1,2-oxazol-3-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide
PubChem CID157122305
Molecular FormulaC103H138Cl7N23O12S4
Molecular Weight2266.82 g/mol
Exact Mass2261.76
IUPAC NameN-[(3R)-3-[4-[acetamidocarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dichloro-4-methylpyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[pyrrolidin-1-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[1,3-dioxolan-2-ylmethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(5-methyl-1,2-oxazol-3-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide
SMILESCC(=O)NNC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(Cl)nc2Cl)CC1.Cc1cc(Cl)nc(C)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)NN2CCCC2)CC1.Cc1cc(Cl)nc(Cl)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)NCC2OCCO2)CC1.Cc1cc(NC(=O)N(Cc2ccsc2)C2CCN([C@H](C)CCNC(=O)c3c(C)cc(Cl)nc3Cl)CC2)no1
InChIInChI=1S/C27H39ClN6O2S.C26H32Cl2N6O3S.C26H35Cl2N5O4S.C24H32Cl2N6O3S/c1-19-16-24(28)30-21(3)25(19)26(35)29-10-6-20(2)32-13-7-23(8-14-32)34(17-22-9-15-37-18-22)27(36)31-33-11-4-5-12-33;1-16-12-21(27)30-24(28)23(16)25(35)29-8-4-17(2)33-9-5-20(6-10-33)34(14-19-7-11-38-15-19)26(36)31-22-13-18(3)37-32-22;1-17-13-21(27)31-24(28)23(17)25(34)29-7-3-18(2)32-8-4-20(5-9-32)33(15-19-6-12-38-16-19)26(35)30-14-22-36-10-11-37-22;1-15-12-20(25)28-22(26)21(15)23(34)27-8-4-16(2)31-9-5-19(6-10-31)32(13-18-7-11-36-14-18)24(35)30-29-17(3)33/h9,15-16,18,20,23H,4-8,10-14,17H2,1-3H3,(H,29,35)(H,31,36);7,11-13,15,17,20H,4-6,8-10,14H2,1-3H3,(H,29,35)(H,31,32,36);6,12-13,16,18,20,22H,3-5,7-11,14-15H2,1-2H3,(H,29,34)(H,30,35);7,11-12,14,16,19H,4-6,8-10,13H2,1-3H3,(H,27,34)(H,29,33)(H,30,35)/t20-;17-;18-;16-/m1111/s1
InChIKeyAICOLJSLNGVQFH-OWNJXTJHSA-N
XLogP18.68
TPSA387.11 Ų
H-Bond Donors9
H-Bond Acceptors26
Rotatable Bonds36
Heavy Atoms149
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002266.82
LogP ≤ 518.68
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(3R)-3-[4-[acetamidocarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dichloro-4-methylpyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[pyrrolidin-1-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[1,3-dioxolan-2-ylmethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(5-methyl-1,2-oxazol-3-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-3-[4-[acetamidocarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dichloro-4-methylpyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[pyrrolidin-1-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[1,3-dioxolan-2-ylmethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(5-methyl-1,2-oxazol-3-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide?
The IUPAC name of N-[(3R)-3-[4-[acetamidocarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dichloro-4-methylpyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[pyrrolidin-1-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[1,3-dioxolan-2-ylmethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(5-methyl-1,2-oxazol-3-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide (CID 157122305) is N-[(3R)-3-[4-[acetamidocarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dichloro-4-methylpyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[pyrrolidin-1-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[1,3-dioxolan-2-ylmethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(5-methyl-1,2-oxazol-3-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(3R)-3-[4-[acetamidocarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dichloro-4-methylpyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[pyrrolidin-1-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[1,3-dioxolan-2-ylmethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(5-methyl-1,2-oxazol-3-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide?
The canonical SMILES for N-[(3R)-3-[4-[acetamidocarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dichloro-4-methylpyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[pyrrolidin-1-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[1,3-dioxolan-2-ylmethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(5-methyl-1,2-oxazol-3-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide is CC(=O)NNC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(Cl)nc2Cl)CC1.Cc1cc(Cl)nc(C)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)NN2CCCC2)CC1.Cc1cc(Cl)nc(Cl)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)NCC2OCCO2)CC1.Cc1cc(NC(=O)N(Cc2ccsc2)C2CCN([C@H](C)CCNC(=O)c3c(C)cc(Cl)nc3Cl)CC2)no1.
What is the InChIKey of N-[(3R)-3-[4-[acetamidocarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dichloro-4-methylpyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[pyrrolidin-1-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[1,3-dioxolan-2-ylmethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(5-methyl-1,2-oxazol-3-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide?
The InChIKey is AICOLJSLNGVQFH-OWNJXTJHSA-N. The full InChI is InChI=1S/C27H39ClN6O2S.C26H32Cl2N6O3S.C26H35Cl2N5O4S.C24H32Cl2N6O3S/c1-19-16-24(28)30-21(3)25(19)26(35)29-10-6-20(2)32-13-7-23(8-14-32)34(17-22-9-15-37-18-22)27(36)31-33-11-4-5-12-33;1-16-12-21(27)30-24(28)23(16)25(35)29-8-4-17(2)33-9-5-20(6-10-33)34(14-19-7-11-38-15-19)26(36)31-22-13-18(3)37-32-22;1-17-13-21(27)31-24(28)23(17)25(34)29-7-3-18(2)32-8-4-20(5-9-32)33(15-19-6-12-38-16-19)26(35)30-14-22-36-10-11-37-22;1-15-12-20(25)28-22(26)21(15)23(34)27-8-4-16(2)31-9-5-19(6-10-31)32(13-18-7-11-36-14-18)24(35)30-29-17(3)33/h9,15-16,18,20,23H,4-8,10-14,17H2,1-3H3,(H,29,35)(H,31,36);7,11-13,15,17,20H,4-6,8-10,14H2,1-3H3,(H,29,35)(H,31,32,36);6,12-13,16,18,20,22H,3-5,7-11,14-15H2,1-2H3,(H,29,34)(H,30,35);7,11-12,14,16,19H,4-6,8-10,13H2,1-3H3,(H,27,34)(H,29,33)(H,30,35)/t20-;17-;18-;16-/m1111/s1.
What are the key properties of N-[(3R)-3-[4-[acetamidocarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dichloro-4-methylpyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[pyrrolidin-1-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[1,3-dioxolan-2-ylmethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(5-methyl-1,2-oxazol-3-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide?
N-[(3R)-3-[4-[acetamidocarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dichloro-4-methylpyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[pyrrolidin-1-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[1,3-dioxolan-2-ylmethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(5-methyl-1,2-oxazol-3-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide has a molecular weight of 2266.82 g/mol, XLogP of 18.68, 36 rotatable bonds, 9 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-3-[4-[acetamidocarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dichloro-4-methylpyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[pyrrolidin-1-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[1,3-dioxolan-2-ylmethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(5-methyl-1,2-oxazol-3-yl)carbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide is sourced from PubChem (CID 157122305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).