6-(3-benzamidopiperidin-1-yl)-2-(4-piperazin-1-ylanilino)pyridine-3-carboxamide

C28H33N7O2 — CID 66832621

IUPAC6-(3-benzamidopiperidin-1-yl)-2-(4-piperazin-1-ylanilino)pyridine-3-carboxamide
SMILESNC(=O)c1ccc(N2CCCC(NC(=O)c3ccccc3)C2)nc1Nc1ccc(N2CCNCC2)cc1
InChIInChI=1S/C28H33N7O2/c29-26(36)24-12-13-25(35-16-4-7-22(19-35)32-28(37)20-5-2-1-3-6-20)33-27(24)31-21-8-10-23(11-9-21)34-17-14-30-15-18-34/h1-3,5-6,8-13,22,30H,4,7,14-19H2,(H2,29,36)(H,31,33)(H,32,37)
InChIKeyCDLKCNNLZBBXLK-UHFFFAOYSA-N
MW499.62 g/mol
LogP2.73
Rot. Bonds7

About 6-(3-benzamidopiperidin-1-yl)-2-(4-piperazin-1-ylanilino)pyridine-3-carboxamide

6-(3-benzamidopiperidin-1-yl)-2-(4-piperazin-1-ylanilino)pyridine-3-carboxamide (PubChem CID 66832621) has the molecular formula C28H33N7O2 and a molecular weight of 499.62 g/mol. Its IUPAC name is 6-(3-benzamidopiperidin-1-yl)-2-(4-piperazin-1-ylanilino)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3-benzamidopiperidin-1-yl)-2-(4-piperazin-1-ylanilino)pyridine-3-carboxamide
PubChem CID66832621
Molecular FormulaC28H33N7O2
Molecular Weight499.62 g/mol
Exact Mass499.27
IUPAC Name6-(3-benzamidopiperidin-1-yl)-2-(4-piperazin-1-ylanilino)pyridine-3-carboxamide
SMILESNC(=O)c1ccc(N2CCCC(NC(=O)c3ccccc3)C2)nc1Nc1ccc(N2CCNCC2)cc1
InChIInChI=1S/C28H33N7O2/c29-26(36)24-12-13-25(35-16-4-7-22(19-35)32-28(37)20-5-2-1-3-6-20)33-27(24)31-21-8-10-23(11-9-21)34-17-14-30-15-18-34/h1-3,5-6,8-13,22,30H,4,7,14-19H2,(H2,29,36)(H,31,33)(H,32,37)
InChIKeyCDLKCNNLZBBXLK-UHFFFAOYSA-N
XLogP2.73
TPSA115.62 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.62
LogP ≤ 52.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(4-methylpiperazin-1-yl)anilino]-6-[(3R)-3-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]piperidin-1-yl]pyridine-3-carboxamide
CID 86663701
5-[(3R)-3-[(4-tert-butylbenzoyl)amino]piperidin-1-yl]-3-[4-(4-methylpiperazin-1-yl)anilino]pyrazine-2-carboxamide
CID 118114831
5-[3-[(4-tert-butylbenzoyl)amino]piperidin-1-yl]-3-[4-(4-methylpiperazin-1-yl)anilino]pyrazine-2-carboxamide
CID 118115154
5-[(3R)-3-[(4-cyclopropylbenzoyl)amino]piperidin-1-yl]-3-[4-(4,4-difluoropiperidin-1-yl)anilino]pyrazine-2-carboxamide
CID 145201377
2-(methylamino)-6-[(3S)-3-phenacylpiperidin-1-yl]pyridine-3-carboxamide
CID 147548956
3-[4-(dimethylcarbamoyl)anilino]-5-[3-[(4-methoxybenzoyl)amino]piperidin-1-yl]pyrazine-2-carboxamide
CID 118115397
N-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]-4-pyrrolidin-1-ylbenzamide
CID 99990589
3-[4-(1-cyclopropylpiperidin-4-yl)anilino]-5-[3-(naphthalene-2-carbonylamino)piperidin-1-yl]pyrazine-2-carboxamide
CID 118115364
4-[(4-aminocyclohexyl)amino]-2-(4-piperazin-1-ylanilino)pyrimidine-5-carboxamide
CID 44596071
5-(3-acetamidopiperidin-1-yl)-3-(4-fluoroanilino)pyrazine-2-carboxamide
CID 123243171
6-(azonan-1-yl)-N-[(3R)-pyrrolidin-3-yl]cyclodeca-1,3,5,7,9-pentaene-1-carboxamide
CID 139502337
2-[4-(2,6-dimethylmorpholine-4-carbonyl)anilino]-6-[(3S)-3-(prop-2-enoylamino)pyrrolidin-1-yl]pyridine-3-carboxamide
CID 118043167

Frequently Asked Questions

What is the IUPAC name of 6-(3-benzamidopiperidin-1-yl)-2-(4-piperazin-1-ylanilino)pyridine-3-carboxamide?
The IUPAC name of 6-(3-benzamidopiperidin-1-yl)-2-(4-piperazin-1-ylanilino)pyridine-3-carboxamide (CID 66832621) is 6-(3-benzamidopiperidin-1-yl)-2-(4-piperazin-1-ylanilino)pyridine-3-carboxamide.
What is the SMILES notation for 6-(3-benzamidopiperidin-1-yl)-2-(4-piperazin-1-ylanilino)pyridine-3-carboxamide?
The canonical SMILES for 6-(3-benzamidopiperidin-1-yl)-2-(4-piperazin-1-ylanilino)pyridine-3-carboxamide is NC(=O)c1ccc(N2CCCC(NC(=O)c3ccccc3)C2)nc1Nc1ccc(N2CCNCC2)cc1.
What is the InChIKey of 6-(3-benzamidopiperidin-1-yl)-2-(4-piperazin-1-ylanilino)pyridine-3-carboxamide?
The InChIKey is CDLKCNNLZBBXLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N7O2/c29-26(36)24-12-13-25(35-16-4-7-22(19-35)32-28(37)20-5-2-1-3-6-20)33-27(24)31-21-8-10-23(11-9-21)34-17-14-30-15-18-34/h1-3,5-6,8-13,22,30H,4,7,14-19H2,(H2,29,36)(H,31,33)(H,32,37).
What are the key properties of 6-(3-benzamidopiperidin-1-yl)-2-(4-piperazin-1-ylanilino)pyridine-3-carboxamide?
6-(3-benzamidopiperidin-1-yl)-2-(4-piperazin-1-ylanilino)pyridine-3-carboxamide has a molecular weight of 499.62 g/mol, XLogP of 2.73, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-benzamidopiperidin-1-yl)-2-(4-piperazin-1-ylanilino)pyridine-3-carboxamide is sourced from PubChem (CID 66832621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).