6-[4-(4-acetylpiperazin-1-yl)anilino]-4-[(4-hydroxycyclohexyl)amino]pyridine-3-carboxamide;6-chloro-4-[(4-hydroxycyclohexyl)amino]pyridine-3-carboxamide;ethyl 6-chloro-4-[(4-hydroxycyclohexyl)amino]pyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate

C58H74Cl4N12O10 — CID 162103297

IUPAC6-[4-(4-acetylpiperazin-1-yl)anilino]-4-[(4-hydroxycyclohexyl)amino]pyridine-3-carboxamide;6-chloro-4-[(4-hydroxycyclohexyl)amino]pyridine-3-carboxamide;ethyl 6-chloro-4-[(4-hydroxycyclohexyl)amino]pyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate
SMILESCC(=O)N1CCN(c2ccc(Nc3cc(NC4CCC(O)CC4)c(C(N)=O)cn3)cc2)CC1.CCOC(=O)c1cnc(Cl)cc1Cl.CCOC(=O)c1cnc(Cl)cc1NC1CCC(O)CC1.NC(=O)c1cnc(Cl)cc1NC1CCC(O)CC1
InChIInChI=1S/C24H32N6O3.C14H19ClN2O3.C12H16ClN3O2.C8H7Cl2NO2/c1-16(31)29-10-12-30(13-11-29)19-6-2-18(3-7-19)28-23-14-22(21(15-26-23)24(25)33)27-17-4-8-20(32)9-5-17;1-2-20-14(19)11-8-16-13(15)7-12(11)17-9-3-5-10(18)6-4-9;13-11-5-10(9(6-15-11)12(14)18)16-7-1-3-8(17)4-2-7;1-2-13-8(12)5-4-11-7(10)3-6(5)9/h2-3,6-7,14-15,17,20,32H,4-5,8-13H2,1H3,(H2,25,33)(H2,26,27,28);7-10,18H,2-6H2,1H3,(H,16,17);5-8,17H,1-4H2,(H2,14,18)(H,15,16);3-4H,2H2,1H3
InChIKeyZFECFIZGWQROKS-UHFFFAOYSA-N
MW1241.12 g/mol
LogP9.05
Rot. Bonds15

About 6-[4-(4-acetylpiperazin-1-yl)anilino]-4-[(4-hydroxycyclohexyl)amino]pyridine-3-carboxamide;6-chloro-4-[(4-hydroxycyclohexyl)amino]pyridine-3-carboxamide;ethyl 6-chloro-4-[(4-hydroxycyclohexyl)amino]pyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate

6-[4-(4-acetylpiperazin-1-yl)anilino]-4-[(4-hydroxycyclohexyl)amino]pyridine-3-carboxamide;6-chloro-4-[(4-hydroxycyclohexyl)amino]pyridine-3-carboxamide;ethyl 6-chloro-4-[(4-hydroxycyclohexyl)amino]pyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate (PubChem CID 162103297) has the molecular formula C58H74Cl4N12O10 and a molecular weight of 1241.12 g/mol. Its IUPAC name is 6-[4-(4-acetylpiperazin-1-yl)anilino]-4-[(4-hydroxycyclohexyl)amino]pyridine-3-carboxamide;6-chloro-4-[(4-hydroxycyclohexyl)amino]pyridine-3-carboxamide;ethyl 6-chloro-4-[(4-hydroxycyclohexyl)amino]pyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate.

Molecular Properties

Compound Name6-[4-(4-acetylpiperazin-1-yl)anilino]-4-[(4-hydroxycyclohexyl)amino]pyridine-3-carboxamide;6-chloro-4-[(4-hydroxycyclohexyl)amino]pyridine-3-carboxamide;ethyl 6-chloro-4-[(4-hydroxycyclohexyl)amino]pyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate
PubChem CID162103297
Molecular FormulaC58H74Cl4N12O10
Molecular Weight1241.12 g/mol
Exact Mass1238.44
IUPAC Name6-[4-(4-acetylpiperazin-1-yl)anilino]-4-[(4-hydroxycyclohexyl)amino]pyridine-3-carboxamide;6-chloro-4-[(4-hydroxycyclohexyl)amino]pyridine-3-carboxamide;ethyl 6-chloro-4-[(4-hydroxycyclohexyl)amino]pyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate
SMILESCC(=O)N1CCN(c2ccc(Nc3cc(NC4CCC(O)CC4)c(C(N)=O)cn3)cc2)CC1.CCOC(=O)c1cnc(Cl)cc1Cl.CCOC(=O)c1cnc(Cl)cc1NC1CCC(O)CC1.NC(=O)c1cnc(Cl)cc1NC1CCC(O)CC1
InChIInChI=1S/C24H32N6O3.C14H19ClN2O3.C12H16ClN3O2.C8H7Cl2NO2/c1-16(31)29-10-12-30(13-11-29)19-6-2-18(3-7-19)28-23-14-22(21(15-26-23)24(25)33)27-17-4-8-20(32)9-5-17;1-2-20-14(19)11-8-16-13(15)7-12(11)17-9-3-5-10(18)6-4-9;13-11-5-10(9(6-15-11)12(14)18)16-7-1-3-8(17)4-2-7;1-2-13-8(12)5-4-11-7(10)3-6(5)9/h2-3,6-7,14-15,17,20,32H,4-5,8-13H2,1H3,(H2,25,33)(H2,26,27,28);7-10,18H,2-6H2,1H3,(H,16,17);5-8,17H,1-4H2,(H2,14,18)(H,15,16);3-4H,2H2,1H3
InChIKeyZFECFIZGWQROKS-UHFFFAOYSA-N
XLogP9.05
TPSA322.70 Ų
H-Bond Donors9
H-Bond Acceptors19
Rotatable Bonds15
Heavy Atoms84
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001241.12
LogP ≤ 59.05
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 6-[4-(4-acetylpiperazin-1-yl)anilino]-4-[(4-hydroxycyclohexyl)amino]pyridine-3-carboxamide;6-chloro-4-[(4-hydroxycyclohexyl)amino]pyridine-3-carboxamide;ethyl 6-chloro-4-[(4-hydroxycyclohexyl)amino]pyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-acetylpiperazin-1-yl)anilino]-4-[(4-hydroxycyclohexyl)amino]pyridine-3-carboxamide;6-chloro-4-[(4-hydroxycyclohexyl)amino]pyridine-3-carboxamide;ethyl 6-chloro-4-[(4-hydroxycyclohexyl)amino]pyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate?
The IUPAC name of 6-[4-(4-acetylpiperazin-1-yl)anilino]-4-[(4-hydroxycyclohexyl)amino]pyridine-3-carboxamide;6-chloro-4-[(4-hydroxycyclohexyl)amino]pyridine-3-carboxamide;ethyl 6-chloro-4-[(4-hydroxycyclohexyl)amino]pyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate (CID 162103297) is 6-[4-(4-acetylpiperazin-1-yl)anilino]-4-[(4-hydroxycyclohexyl)amino]pyridine-3-carboxamide;6-chloro-4-[(4-hydroxycyclohexyl)amino]pyridine-3-carboxamide;ethyl 6-chloro-4-[(4-hydroxycyclohexyl)amino]pyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate.
What is the SMILES notation for 6-[4-(4-acetylpiperazin-1-yl)anilino]-4-[(4-hydroxycyclohexyl)amino]pyridine-3-carboxamide;6-chloro-4-[(4-hydroxycyclohexyl)amino]pyridine-3-carboxamide;ethyl 6-chloro-4-[(4-hydroxycyclohexyl)amino]pyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate?
The canonical SMILES for 6-[4-(4-acetylpiperazin-1-yl)anilino]-4-[(4-hydroxycyclohexyl)amino]pyridine-3-carboxamide;6-chloro-4-[(4-hydroxycyclohexyl)amino]pyridine-3-carboxamide;ethyl 6-chloro-4-[(4-hydroxycyclohexyl)amino]pyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate is CC(=O)N1CCN(c2ccc(Nc3cc(NC4CCC(O)CC4)c(C(N)=O)cn3)cc2)CC1.CCOC(=O)c1cnc(Cl)cc1Cl.CCOC(=O)c1cnc(Cl)cc1NC1CCC(O)CC1.NC(=O)c1cnc(Cl)cc1NC1CCC(O)CC1.
What is the InChIKey of 6-[4-(4-acetylpiperazin-1-yl)anilino]-4-[(4-hydroxycyclohexyl)amino]pyridine-3-carboxamide;6-chloro-4-[(4-hydroxycyclohexyl)amino]pyridine-3-carboxamide;ethyl 6-chloro-4-[(4-hydroxycyclohexyl)amino]pyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate?
The InChIKey is ZFECFIZGWQROKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6O3.C14H19ClN2O3.C12H16ClN3O2.C8H7Cl2NO2/c1-16(31)29-10-12-30(13-11-29)19-6-2-18(3-7-19)28-23-14-22(21(15-26-23)24(25)33)27-17-4-8-20(32)9-5-17;1-2-20-14(19)11-8-16-13(15)7-12(11)17-9-3-5-10(18)6-4-9;13-11-5-10(9(6-15-11)12(14)18)16-7-1-3-8(17)4-2-7;1-2-13-8(12)5-4-11-7(10)3-6(5)9/h2-3,6-7,14-15,17,20,32H,4-5,8-13H2,1H3,(H2,25,33)(H2,26,27,28);7-10,18H,2-6H2,1H3,(H,16,17);5-8,17H,1-4H2,(H2,14,18)(H,15,16);3-4H,2H2,1H3.
What are the key properties of 6-[4-(4-acetylpiperazin-1-yl)anilino]-4-[(4-hydroxycyclohexyl)amino]pyridine-3-carboxamide;6-chloro-4-[(4-hydroxycyclohexyl)amino]pyridine-3-carboxamide;ethyl 6-chloro-4-[(4-hydroxycyclohexyl)amino]pyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate?
6-[4-(4-acetylpiperazin-1-yl)anilino]-4-[(4-hydroxycyclohexyl)amino]pyridine-3-carboxamide;6-chloro-4-[(4-hydroxycyclohexyl)amino]pyridine-3-carboxamide;ethyl 6-chloro-4-[(4-hydroxycyclohexyl)amino]pyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate has a molecular weight of 1241.12 g/mol, XLogP of 9.05, 15 rotatable bonds, 9 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-acetylpiperazin-1-yl)anilino]-4-[(4-hydroxycyclohexyl)amino]pyridine-3-carboxamide;6-chloro-4-[(4-hydroxycyclohexyl)amino]pyridine-3-carboxamide;ethyl 6-chloro-4-[(4-hydroxycyclohexyl)amino]pyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate is sourced from PubChem (CID 162103297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).