1-[5-[(1-benzyl-5-methylpyrazole-4-carbonyl)amino]-2-pyridinyl]piperidine-3-carboxamide

C23H26N6O2 — CID 86883409

IUPAC1-[5-[(1-benzyl-5-methylpyrazole-4-carbonyl)amino]-2-pyridinyl]piperidine-3-carboxamide
SMILESCc1c(C(=O)Nc2ccc(N3CCCC(C(N)=O)C3)nc2)cnn1Cc1ccccc1
InChIInChI=1S/C23H26N6O2/c1-16-20(13-26-29(16)14-17-6-3-2-4-7-17)23(31)27-19-9-10-21(25-12-19)28-11-5-8-18(15-28)22(24)30/h2-4,6-7,9-10,12-13,18H,5,8,11,14-15H2,1H3,(H2,24,30)(H,27,31)
InChIKeyCLBUMFDHJYHGOP-UHFFFAOYSA-N
MW418.50 g/mol
LogP2.59
Rot. Bonds6

About 1-[5-[(1-benzyl-5-methylpyrazole-4-carbonyl)amino]-2-pyridinyl]piperidine-3-carboxamide

1-[5-[(1-benzyl-5-methylpyrazole-4-carbonyl)amino]-2-pyridinyl]piperidine-3-carboxamide (PubChem CID 86883409) has the molecular formula C23H26N6O2 and a molecular weight of 418.50 g/mol. Its IUPAC name is 1-[5-[(1-benzyl-5-methylpyrazole-4-carbonyl)amino]-2-pyridinyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[5-[(1-benzyl-5-methylpyrazole-4-carbonyl)amino]-2-pyridinyl]piperidine-3-carboxamide
PubChem CID86883409
Molecular FormulaC23H26N6O2
Molecular Weight418.50 g/mol
Exact Mass418.21
IUPAC Name1-[5-[(1-benzyl-5-methylpyrazole-4-carbonyl)amino]-2-pyridinyl]piperidine-3-carboxamide
SMILESCc1c(C(=O)Nc2ccc(N3CCCC(C(N)=O)C3)nc2)cnn1Cc1ccccc1
InChIInChI=1S/C23H26N6O2/c1-16-20(13-26-29(16)14-17-6-3-2-4-7-17)23(31)27-19-9-10-21(25-12-19)28-11-5-8-18(15-28)22(24)30/h2-4,6-7,9-10,12-13,18H,5,8,11,14-15H2,1H3,(H2,24,30)(H,27,31)
InChIKeyCLBUMFDHJYHGOP-UHFFFAOYSA-N
XLogP2.59
TPSA106.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-[(2-bromobenzoyl)amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55967635
1-[5-[(5-methyl-2-pyrrolidin-1-ylbenzoyl)amino]-2-pyridinyl]piperidine-3-carboxamide
CID 86962982
N-[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 55970593
1-[5-[[4-(1,2,4-triazol-1-ylmethyl)benzoyl]amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55970456
ethyl 6-[[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]carbamoyl]-2-methylpyridine-3-carboxylate
CID 55970967
1-[5-[[4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoyl]amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55700900
N-[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 55701198
1-[5-[[5-(benzenesulfonylmethyl)furan-2-carbonyl]amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55700999
6-(3-bromophenyl)-N-[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]-2-methylpyridine-3-carboxamide
CID 55701075
1-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 90309940
(3S)-1-[5-(3-cyclopentylpropanoylamino)-2-pyridinyl]piperidine-3-carboxamide
CID 95312803
N-[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
CID 55968536

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(1-benzyl-5-methylpyrazole-4-carbonyl)amino]-2-pyridinyl]piperidine-3-carboxamide?
The IUPAC name of 1-[5-[(1-benzyl-5-methylpyrazole-4-carbonyl)amino]-2-pyridinyl]piperidine-3-carboxamide (CID 86883409) is 1-[5-[(1-benzyl-5-methylpyrazole-4-carbonyl)amino]-2-pyridinyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[5-[(1-benzyl-5-methylpyrazole-4-carbonyl)amino]-2-pyridinyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[5-[(1-benzyl-5-methylpyrazole-4-carbonyl)amino]-2-pyridinyl]piperidine-3-carboxamide is Cc1c(C(=O)Nc2ccc(N3CCCC(C(N)=O)C3)nc2)cnn1Cc1ccccc1.
What is the InChIKey of 1-[5-[(1-benzyl-5-methylpyrazole-4-carbonyl)amino]-2-pyridinyl]piperidine-3-carboxamide?
The InChIKey is CLBUMFDHJYHGOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O2/c1-16-20(13-26-29(16)14-17-6-3-2-4-7-17)23(31)27-19-9-10-21(25-12-19)28-11-5-8-18(15-28)22(24)30/h2-4,6-7,9-10,12-13,18H,5,8,11,14-15H2,1H3,(H2,24,30)(H,27,31).
What are the key properties of 1-[5-[(1-benzyl-5-methylpyrazole-4-carbonyl)amino]-2-pyridinyl]piperidine-3-carboxamide?
1-[5-[(1-benzyl-5-methylpyrazole-4-carbonyl)amino]-2-pyridinyl]piperidine-3-carboxamide has a molecular weight of 418.50 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(1-benzyl-5-methylpyrazole-4-carbonyl)amino]-2-pyridinyl]piperidine-3-carboxamide is sourced from PubChem (CID 86883409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).