5-benzamido-2-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)pyridine-3-carboxylic acid

C24H29N5O4 — CID 86769136

IUPAC5-benzamido-2-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)pyridine-3-carboxylic acid
SMILESNC(=O)C1(N2CCCCC2)CCN(c2ncc(NC(=O)c3ccccc3)cc2C(=O)O)CC1
InChIInChI=1S/C24H29N5O4/c25-23(33)24(29-11-5-2-6-12-29)9-13-28(14-10-24)20-19(22(31)32)15-18(16-26-20)27-21(30)17-7-3-1-4-8-17/h1,3-4,7-8,15-16H,2,5-6,9-14H2,(H2,25,33)(H,27,30)(H,31,32)
InChIKeyZGKUBQXNEHVTPV-UHFFFAOYSA-N
MW451.53 g/mol
LogP2.34
Rot. Bonds6

About 5-benzamido-2-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)pyridine-3-carboxylic acid

5-benzamido-2-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)pyridine-3-carboxylic acid (PubChem CID 86769136) has the molecular formula C24H29N5O4 and a molecular weight of 451.53 g/mol. Its IUPAC name is 5-benzamido-2-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-benzamido-2-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)pyridine-3-carboxylic acid
PubChem CID86769136
Molecular FormulaC24H29N5O4
Molecular Weight451.53 g/mol
Exact Mass451.22
IUPAC Name5-benzamido-2-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)pyridine-3-carboxylic acid
SMILESNC(=O)C1(N2CCCCC2)CCN(c2ncc(NC(=O)c3ccccc3)cc2C(=O)O)CC1
InChIInChI=1S/C24H29N5O4/c25-23(33)24(29-11-5-2-6-12-29)9-13-28(14-10-24)20-19(22(31)32)15-18(16-26-20)27-21(30)17-7-3-1-4-8-17/h1,3-4,7-8,15-16H,2,5-6,9-14H2,(H2,25,33)(H,27,30)(H,31,32)
InChIKeyZGKUBQXNEHVTPV-UHFFFAOYSA-N
XLogP2.34
TPSA128.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.53
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-5-[(2-fluorobenzoyl)amino]pyridine-3-carboxylic acid;2-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-5-[(4-methylbenzoyl)amino]benzoic acid;2-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-5-(thiophene-3-carbonylamino)pyridine-3-carboxylic acid
CID 157465676
2-(azepan-1-yl)-5-[(3-methylbenzoyl)amino]pyridine-3-carboxylic acid
CID 53094075
2-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-5-[(3-methylbenzoyl)amino]benzoic acid
CID 50807439
2-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-5-[(2-methylbenzoyl)amino]benzoic acid
CID 50807438
2-acetamido-5-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)benzoic acid;1-[3-acetyl-4-[(2-chlorobenzoyl)amino]phenyl]-4-piperidin-1-ylpiperidine-4-carboxamide;1-[3-acetyl-4-[(4-fluorobenzoyl)amino]phenyl]-4-piperidin-1-ylpiperidine-4-carboxamide;2-(4-carbamoylpiperidin-1-yl)-5-[(2-methylbenzoyl)amino]pyridine-3-carboxylic acid;5-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-2-(cyclopropanecarbonylamino)benzoic acid;5-[(2-methylbenzoyl)amino]-2-(4-piperidin-1-ylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 159578564
5-benzamido-2-[(3R)-3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridine-3-carboxylic acid
CID 95075744
5-acetamido-2-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)benzoic acid
CID 50807489
5-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-2-[(2-chlorobenzoyl)amino]benzoic acid
CID 50781002
4-piperidin-1-yl-1-quinoxalin-2-ylpiperidine-4-carboxamide
CID 146040392
5-[(2-fluorobenzoyl)amino]-2-(4-piperidin-1-ylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 83290164
2-(4-acetylpiperazin-1-yl)-5-[(3-chlorobenzoyl)amino]pyridine-3-carboxylic acid
CID 53094502
5-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-2-[(2-phenoxyacetyl)amino]benzoic acid
CID 50782647

Frequently Asked Questions

What is the IUPAC name of 5-benzamido-2-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)pyridine-3-carboxylic acid?
The IUPAC name of 5-benzamido-2-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)pyridine-3-carboxylic acid (CID 86769136) is 5-benzamido-2-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-benzamido-2-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 5-benzamido-2-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)pyridine-3-carboxylic acid is NC(=O)C1(N2CCCCC2)CCN(c2ncc(NC(=O)c3ccccc3)cc2C(=O)O)CC1.
What is the InChIKey of 5-benzamido-2-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)pyridine-3-carboxylic acid?
The InChIKey is ZGKUBQXNEHVTPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O4/c25-23(33)24(29-11-5-2-6-12-29)9-13-28(14-10-24)20-19(22(31)32)15-18(16-26-20)27-21(30)17-7-3-1-4-8-17/h1,3-4,7-8,15-16H,2,5-6,9-14H2,(H2,25,33)(H,27,30)(H,31,32).
What are the key properties of 5-benzamido-2-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)pyridine-3-carboxylic acid?
5-benzamido-2-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)pyridine-3-carboxylic acid has a molecular weight of 451.53 g/mol, XLogP of 2.34, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzamido-2-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 86769136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).