1-[5-[(5-methyl-2-pyrrolidin-1-ylbenzoyl)amino]-2-pyridinyl]piperidine-3-carboxamide

C23H29N5O2 — CID 86962982

IUPAC1-[5-[(5-methyl-2-pyrrolidin-1-ylbenzoyl)amino]-2-pyridinyl]piperidine-3-carboxamide
SMILESCc1ccc(N2CCCC2)c(C(=O)Nc2ccc(N3CCCC(C(N)=O)C3)nc2)c1
InChIInChI=1S/C23H29N5O2/c1-16-6-8-20(27-10-2-3-11-27)19(13-16)23(30)26-18-7-9-21(25-14-18)28-12-4-5-17(15-28)22(24)29/h6-9,13-14,17H,2-5,10-12,15H2,1H3,(H2,24,29)(H,26,30)
InChIKeyKVOYWXCDGKIJFZ-UHFFFAOYSA-N
MW407.52 g/mol
LogP2.94
Rot. Bonds5

About 1-[5-[(5-methyl-2-pyrrolidin-1-ylbenzoyl)amino]-2-pyridinyl]piperidine-3-carboxamide

1-[5-[(5-methyl-2-pyrrolidin-1-ylbenzoyl)amino]-2-pyridinyl]piperidine-3-carboxamide (PubChem CID 86962982) has the molecular formula C23H29N5O2 and a molecular weight of 407.52 g/mol. Its IUPAC name is 1-[5-[(5-methyl-2-pyrrolidin-1-ylbenzoyl)amino]-2-pyridinyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[5-[(5-methyl-2-pyrrolidin-1-ylbenzoyl)amino]-2-pyridinyl]piperidine-3-carboxamide
PubChem CID86962982
Molecular FormulaC23H29N5O2
Molecular Weight407.52 g/mol
Exact Mass407.23
IUPAC Name1-[5-[(5-methyl-2-pyrrolidin-1-ylbenzoyl)amino]-2-pyridinyl]piperidine-3-carboxamide
SMILESCc1ccc(N2CCCC2)c(C(=O)Nc2ccc(N3CCCC(C(N)=O)C3)nc2)c1
InChIInChI=1S/C23H29N5O2/c1-16-6-8-20(27-10-2-3-11-27)19(13-16)23(30)26-18-7-9-21(25-14-18)28-12-4-5-17(15-28)22(24)29/h6-9,13-14,17H,2-5,10-12,15H2,1H3,(H2,24,29)(H,26,30)
InChIKeyKVOYWXCDGKIJFZ-UHFFFAOYSA-N
XLogP2.94
TPSA91.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-[(2-bromobenzoyl)amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55967635
N-(6-amino-3-pyridinyl)-5-methyl-2-pyrrolidin-1-ylbenzamide
CID 119516134
1-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 90309940
N-[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]-2-(2,5-dimethylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 55968404
1-[5-[(5-methylsulfanyl-2-nitrobenzoyl)amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55971344
1-[5-[(1-benzyl-5-methylpyrazole-4-carbonyl)amino]-2-pyridinyl]piperidine-3-carboxamide
CID 86883409
N-[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 55701198
6-(3-bromophenyl)-N-[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]-2-methylpyridine-3-carboxamide
CID 55701075
ethyl 6-[[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]carbamoyl]-2-methylpyridine-3-carboxylate
CID 55970967
1-[5-[[4-(trifluoromethylsulfanyl)benzoyl]amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55701002
1-[5-[(3-cyanobenzoyl)amino]-2-pyridinyl]piperidine-3-carboxamide
CID 86988880
1-[5-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55970455

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(5-methyl-2-pyrrolidin-1-ylbenzoyl)amino]-2-pyridinyl]piperidine-3-carboxamide?
The IUPAC name of 1-[5-[(5-methyl-2-pyrrolidin-1-ylbenzoyl)amino]-2-pyridinyl]piperidine-3-carboxamide (CID 86962982) is 1-[5-[(5-methyl-2-pyrrolidin-1-ylbenzoyl)amino]-2-pyridinyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[5-[(5-methyl-2-pyrrolidin-1-ylbenzoyl)amino]-2-pyridinyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[5-[(5-methyl-2-pyrrolidin-1-ylbenzoyl)amino]-2-pyridinyl]piperidine-3-carboxamide is Cc1ccc(N2CCCC2)c(C(=O)Nc2ccc(N3CCCC(C(N)=O)C3)nc2)c1.
What is the InChIKey of 1-[5-[(5-methyl-2-pyrrolidin-1-ylbenzoyl)amino]-2-pyridinyl]piperidine-3-carboxamide?
The InChIKey is KVOYWXCDGKIJFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O2/c1-16-6-8-20(27-10-2-3-11-27)19(13-16)23(30)26-18-7-9-21(25-14-18)28-12-4-5-17(15-28)22(24)29/h6-9,13-14,17H,2-5,10-12,15H2,1H3,(H2,24,29)(H,26,30).
What are the key properties of 1-[5-[(5-methyl-2-pyrrolidin-1-ylbenzoyl)amino]-2-pyridinyl]piperidine-3-carboxamide?
1-[5-[(5-methyl-2-pyrrolidin-1-ylbenzoyl)amino]-2-pyridinyl]piperidine-3-carboxamide has a molecular weight of 407.52 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(5-methyl-2-pyrrolidin-1-ylbenzoyl)amino]-2-pyridinyl]piperidine-3-carboxamide is sourced from PubChem (CID 86962982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).