N-(2-amino-5-thiophen-2-ylphenyl)-5-piperazin-1-ylpyridine-2-carboxamide;tert-butyl 4-[6-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-thiophen-2-ylphenyl]carbamoyl]-3-pyridinyl]piperazine-1-carboxylate;5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-2-carboxylic acid

C65H79N13O10S2 — CID 158554874

IUPACN-(2-amino-5-thiophen-2-ylphenyl)-5-piperazin-1-ylpyridine-2-carboxamide;tert-butyl 4-[6-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-thiophen-2-ylphenyl]carbamoyl]-3-pyridinyl]piperazine-1-carboxylate;5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCN(c2ccc(C(=O)O)nc2)CC1.CC(C)(C)OC(=O)Nc1ccc(-c2cccs2)cc1NC(=O)c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cn1.Nc1ccc(-c2cccs2)cc1NC(=O)c1ccc(N2CCNCC2)cn1
InChIInChI=1S/C30H37N5O5S.C20H21N5OS.C15H21N3O4/c1-29(2,3)39-27(37)33-22-11-9-20(25-8-7-17-41-25)18-24(22)32-26(36)23-12-10-21(19-31-23)34-13-15-35(16-14-34)28(38)40-30(4,5)6;21-16-5-3-14(19-2-1-11-27-19)12-18(16)24-20(26)17-6-4-15(13-23-17)25-9-7-22-8-10-25;1-15(2,3)22-14(21)18-8-6-17(7-9-18)11-4-5-12(13(19)20)16-10-11/h7-12,17-19H,13-16H2,1-6H3,(H,32,36)(H,33,37);1-6,11-13,22H,7-10,21H2,(H,24,26);4-5,10H,6-9H2,1-3H3,(H,19,20)
InChIKeyHQDWBKUJFLBXQB-UHFFFAOYSA-N
MW1266.56 g/mol
LogP11.36
Rot. Bonds11

About N-(2-amino-5-thiophen-2-ylphenyl)-5-piperazin-1-ylpyridine-2-carboxamide;tert-butyl 4-[6-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-thiophen-2-ylphenyl]carbamoyl]-3-pyridinyl]piperazine-1-carboxylate;5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-2-carboxylic acid

N-(2-amino-5-thiophen-2-ylphenyl)-5-piperazin-1-ylpyridine-2-carboxamide;tert-butyl 4-[6-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-thiophen-2-ylphenyl]carbamoyl]-3-pyridinyl]piperazine-1-carboxylate;5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-2-carboxylic acid (PubChem CID 158554874) has the molecular formula C65H79N13O10S2 and a molecular weight of 1266.56 g/mol. Its IUPAC name is N-(2-amino-5-thiophen-2-ylphenyl)-5-piperazin-1-ylpyridine-2-carboxamide;tert-butyl 4-[6-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-thiophen-2-ylphenyl]carbamoyl]-3-pyridinyl]piperazine-1-carboxylate;5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-2-carboxylic acid.

Molecular Properties

Compound NameN-(2-amino-5-thiophen-2-ylphenyl)-5-piperazin-1-ylpyridine-2-carboxamide;tert-butyl 4-[6-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-thiophen-2-ylphenyl]carbamoyl]-3-pyridinyl]piperazine-1-carboxylate;5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-2-carboxylic acid
PubChem CID158554874
Molecular FormulaC65H79N13O10S2
Molecular Weight1266.56 g/mol
Exact Mass1265.55
IUPAC NameN-(2-amino-5-thiophen-2-ylphenyl)-5-piperazin-1-ylpyridine-2-carboxamide;tert-butyl 4-[6-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-thiophen-2-ylphenyl]carbamoyl]-3-pyridinyl]piperazine-1-carboxylate;5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCN(c2ccc(C(=O)O)nc2)CC1.CC(C)(C)OC(=O)Nc1ccc(-c2cccs2)cc1NC(=O)c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cn1.Nc1ccc(-c2cccs2)cc1NC(=O)c1ccc(N2CCNCC2)cn1
InChIInChI=1S/C30H37N5O5S.C20H21N5OS.C15H21N3O4/c1-29(2,3)39-27(37)33-22-11-9-20(25-8-7-17-41-25)18-24(22)32-26(36)23-12-10-21(19-31-23)34-13-15-35(16-14-34)28(38)40-30(4,5)6;21-16-5-3-14(19-2-1-11-27-19)12-18(16)24-20(26)17-6-4-15(13-23-17)25-9-7-22-8-10-25;1-15(2,3)22-14(21)18-8-6-17(7-9-18)11-4-5-12(13(19)20)16-10-11/h7-12,17-19H,13-16H2,1-6H3,(H,32,36)(H,33,37);1-6,11-13,22H,7-10,21H2,(H,24,26);4-5,10H,6-9H2,1-3H3,(H,19,20)
InChIKeyHQDWBKUJFLBXQB-UHFFFAOYSA-N
XLogP11.36
TPSA279.35 Ų
H-Bond Donors6
H-Bond Acceptors19
Rotatable Bonds11
Heavy Atoms90
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001266.56
LogP ≤ 511.36
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-(2-amino-5-thiophen-2-ylphenyl)-5-piperazin-1-ylpyridine-2-carboxamide;tert-butyl 4-[6-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-thiophen-2-ylphenyl]carbamoyl]-3-pyridinyl]piperazine-1-carboxylate;5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-2-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

Tert-butyl 4-[4-(4-phenylanilino)thieno[2,3-c]pyridine-2-carbonyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;4-(4-phenylanilino)thieno[2,3-c]pyridine-2-carboxylic acid;bis(2,2,2-trifluoroacetic acid)
CID 160930071
N-(2-amino-5-pyridin-4-ylphenyl)-5-piperazin-1-ylthiophene-2-carboxamide;tert-butyl 4-[5-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-pyridin-4-ylphenyl]carbamoyl]thiophen-2-yl]piperazine-1-carboxylate;5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]thiophene-2-carboxylic acid
CID 157889010
bis(tert-butyl N-[2-[2-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2-oxoethyl]-4-thiophen-2-ylphenyl]carbamate);5-(4-methylpiperazin-1-yl)pyridine-2-carboxylic acid
CID 158485016
2-(2-amino-5-thiophen-2-ylphenyl)-1-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]ethanone;tert-butyl N-[2-[2-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2-oxoethyl]-4-thiophen-2-ylphenyl]carbamate;5-(4-methylpiperazin-1-yl)pyridine-2-carboxylic acid
CID 159440434
2-(2-Amino-5-thiophen-2-ylphenyl)-1-(5-piperazin-1-yl-2-pyridinyl)ethanone;tert-butyl 4-[5-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-thiophen-2-ylphenyl]acetyl]-2-pyridinyl]piperazine-1-carboxylate;5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-2-carboxylic acid
CID 159661161
2-(2-amino-5-thiophen-2-ylphenyl)-1-(8-cyclopropyl-7-piperazin-1-ylisoquinolin-3-yl)ethanone;tert-butyl N-(2-amino-4-thiophen-2-ylphenyl)carbamate;tert-butyl N-[2-[2-(8-cyclopropyl-7-piperidin-1-ylisoquinolin-3-yl)-2-oxoethyl]-4-thiophen-2-ylphenyl]carbamate;8-cyclopropyl-7-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]isoquinoline-3-carboxylic acid;methane
CID 159680644
tert-butyl N-(2-amino-4-thiophen-2-ylphenyl)carbamate;tert-butyl N-[2-[[4-[(E)-3-oxo-6-pyridin-2-ylhex-1-enyl]benzoyl]amino]-4-thiophen-2-ylphenyl]carbamate;methane;oxolane;4-[(E)-3-oxo-6-pyridin-2-ylhex-1-enyl]benzoic acid
CID 160000165
tert-butyl N-(2-amino-4-thiophen-2-ylphenyl)carbamate;ethyl 4-isocyanatobenzoate;pyridin-3-ylmethanol;4-(pyridin-3-ylmethoxycarbonylamino)benzoic acid;pyridin-3-ylmethyl N-[4-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]phenyl]carbamate;pyridin-3-ylmethyl N-[4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-thiophen-2-ylphenyl]carbamoyl]phenyl]carbamate
CID 160185831
bis(trichloromethyl) carbonate;tert-butyl N-(2-amino-4-thiophen-2-ylphenyl)carbamate;methane;6-O-methyl 1-O-(pyridin-3-ylmethyl) 3,4-dihydro-2H-quinoline-1,6-dicarboxylate;methyl 1,2,3,4-tetrahydroquinoline-6-carboxylate;pyridin-3-ylmethanol;1-(pyridin-3-ylmethoxycarbonyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid;pyridin-3-ylmethyl 6-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]-3,4-dihydro-2H-quinoline-1-carboxylate;pyridin-3-ylmethyl 6-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-thiophen-2-ylphenyl]carbamoyl]-3,4-dihydro-2H-quinoline-1-carboxylate;1,2,3,4-tetrahydroquinoline-6-carboxylic acid
CID 160291364
N-(2-amino-5-thiophen-2-ylphenyl)-6-carbamimidoylpyridine-3-carboxamide;tert-butyl N-(2-amino-4-thiophen-2-ylphenyl)carbamate;tert-butyl N-[2-[(6-carbamimidoylpyridine-3-carbonyl)amino]-4-thiophen-2-ylphenyl]carbamate;tert-butyl N-[2-[(6-isocyanopyridine-3-carbonyl)amino]-4-thiophen-2-ylphenyl]carbamate;6-isocyanopyridine-3-carboxylic acid
CID 160844319
5-(4-acetylpiperazin-1-yl)pyridine-2-carboxylic acid;tert-butyl N-[2-[[5-(4-acetylpiperazin-1-yl)pyridine-2-carbonyl]amino]-4-thiophen-2-ylphenyl]carbamate;tert-butyl 4-(6-methoxycarbonyl-3-pyridinyl)piperazine-1-carboxylate;methyl 5-(4-acetylpiperazin-1-yl)pyridine-2-carboxylate;methyl 5-piperazin-1-ylpyridine-2-carboxylate
CID 160983091
2-(2-amino-5-pyridin-4-ylphenyl)-1-(5-piperazin-1-yl-2-pyridinyl)ethanone;tert-butyl N-(2-amino-4-pyridin-4-ylphenyl)carbamate;tert-butyl 4-[6-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-pyridin-4-ylphenyl]acetyl]-3-pyridinyl]piperazine-1-carboxylate;5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-2-carboxylic acid
CID 161261222

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-thiophen-2-ylphenyl)-5-piperazin-1-ylpyridine-2-carboxamide;tert-butyl 4-[6-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-thiophen-2-ylphenyl]carbamoyl]-3-pyridinyl]piperazine-1-carboxylate;5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-2-carboxylic acid?
The IUPAC name of N-(2-amino-5-thiophen-2-ylphenyl)-5-piperazin-1-ylpyridine-2-carboxamide;tert-butyl 4-[6-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-thiophen-2-ylphenyl]carbamoyl]-3-pyridinyl]piperazine-1-carboxylate;5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-2-carboxylic acid (CID 158554874) is N-(2-amino-5-thiophen-2-ylphenyl)-5-piperazin-1-ylpyridine-2-carboxamide;tert-butyl 4-[6-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-thiophen-2-ylphenyl]carbamoyl]-3-pyridinyl]piperazine-1-carboxylate;5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-2-carboxylic acid.
What is the SMILES notation for N-(2-amino-5-thiophen-2-ylphenyl)-5-piperazin-1-ylpyridine-2-carboxamide;tert-butyl 4-[6-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-thiophen-2-ylphenyl]carbamoyl]-3-pyridinyl]piperazine-1-carboxylate;5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-2-carboxylic acid?
The canonical SMILES for N-(2-amino-5-thiophen-2-ylphenyl)-5-piperazin-1-ylpyridine-2-carboxamide;tert-butyl 4-[6-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-thiophen-2-ylphenyl]carbamoyl]-3-pyridinyl]piperazine-1-carboxylate;5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-2-carboxylic acid is CC(C)(C)OC(=O)N1CCN(c2ccc(C(=O)O)nc2)CC1.CC(C)(C)OC(=O)Nc1ccc(-c2cccs2)cc1NC(=O)c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cn1.Nc1ccc(-c2cccs2)cc1NC(=O)c1ccc(N2CCNCC2)cn1.
What is the InChIKey of N-(2-amino-5-thiophen-2-ylphenyl)-5-piperazin-1-ylpyridine-2-carboxamide;tert-butyl 4-[6-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-thiophen-2-ylphenyl]carbamoyl]-3-pyridinyl]piperazine-1-carboxylate;5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-2-carboxylic acid?
The InChIKey is HQDWBKUJFLBXQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37N5O5S.C20H21N5OS.C15H21N3O4/c1-29(2,3)39-27(37)33-22-11-9-20(25-8-7-17-41-25)18-24(22)32-26(36)23-12-10-21(19-31-23)34-13-15-35(16-14-34)28(38)40-30(4,5)6;21-16-5-3-14(19-2-1-11-27-19)12-18(16)24-20(26)17-6-4-15(13-23-17)25-9-7-22-8-10-25;1-15(2,3)22-14(21)18-8-6-17(7-9-18)11-4-5-12(13(19)20)16-10-11/h7-12,17-19H,13-16H2,1-6H3,(H,32,36)(H,33,37);1-6,11-13,22H,7-10,21H2,(H,24,26);4-5,10H,6-9H2,1-3H3,(H,19,20).
What are the key properties of N-(2-amino-5-thiophen-2-ylphenyl)-5-piperazin-1-ylpyridine-2-carboxamide;tert-butyl 4-[6-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-thiophen-2-ylphenyl]carbamoyl]-3-pyridinyl]piperazine-1-carboxylate;5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-2-carboxylic acid?
N-(2-amino-5-thiophen-2-ylphenyl)-5-piperazin-1-ylpyridine-2-carboxamide;tert-butyl 4-[6-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-thiophen-2-ylphenyl]carbamoyl]-3-pyridinyl]piperazine-1-carboxylate;5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-2-carboxylic acid has a molecular weight of 1266.56 g/mol, XLogP of 11.36, 11 rotatable bonds, 6 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-thiophen-2-ylphenyl)-5-piperazin-1-ylpyridine-2-carboxamide;tert-butyl 4-[6-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-thiophen-2-ylphenyl]carbamoyl]-3-pyridinyl]piperazine-1-carboxylate;5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 158554874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).