6-[4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]pyridine-3-carboxamide

C21H23N5O — CID 56714296

IUPAC6-[4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]pyridine-3-carboxamide
SMILESNC(=O)c1ccc(N2CCC(c3cc(Cc4ccccc4)[nH]n3)CC2)nc1
InChIInChI=1S/C21H23N5O/c22-21(27)17-6-7-20(23-14-17)26-10-8-16(9-11-26)19-13-18(24-25-19)12-15-4-2-1-3-5-15/h1-7,13-14,16H,8-12H2,(H2,22,27)(H,24,25)
InChIKeySOUZUPGYSKXQPK-UHFFFAOYSA-N
MW361.45 g/mol
LogP2.88
Rot. Bonds5

About 6-[4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]pyridine-3-carboxamide

6-[4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]pyridine-3-carboxamide (PubChem CID 56714296) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is 6-[4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]pyridine-3-carboxamide
PubChem CID56714296
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC Name6-[4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]pyridine-3-carboxamide
SMILESNC(=O)c1ccc(N2CCC(c3cc(Cc4ccccc4)[nH]n3)CC2)nc1
InChIInChI=1S/C21H23N5O/c22-21(27)17-6-7-20(23-14-17)26-10-8-16(9-11-26)19-13-18(24-25-19)12-15-4-2-1-3-5-15/h1-7,13-14,16H,8-12H2,(H2,22,27)(H,24,25)
InChIKeySOUZUPGYSKXQPK-UHFFFAOYSA-N
XLogP2.88
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]-2-pyrrolidin-1-ylethane-1,2-dione
CID 56705721
6-(4-phenylazepan-1-yl)pyridine-3-carboxamide
CID 166186710
[(1S,3R,4R)-3-amino-4-hydroxycyclopentyl]-[4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone
CID 155501278
[4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]-(2,6-dihydroxyphenyl)methanone
CID 56716769
2-[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl]oxyacetic acid
CID 63903910
(6R)-6-[4-(5-benzyl-1H-pyrazol-3-yl)piperidine-1-carbonyl]-1,3-diazinane-2,4-dione
CID 56705943
2-[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl]acetic acid
CID 79608982
1-[4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]-3,3,3-trifluoropropan-1-one
CID 56717699
3-[4-(5-benzyl-1H-pyrazol-3-yl)piperidine-1-carbonyl]piperidin-2-one
CID 56712711
[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl]carbamic acid
CID 69360370
[4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]-[(5S)-3-methyl-4,5-dihydro-1,2-oxazol-5-yl]methanone
CID 95228912
6-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]pyridine-3-carboxamide
CID 174565375

Frequently Asked Questions

What is the IUPAC name of 6-[4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]pyridine-3-carboxamide?
The IUPAC name of 6-[4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]pyridine-3-carboxamide (CID 56714296) is 6-[4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for 6-[4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for 6-[4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]pyridine-3-carboxamide is NC(=O)c1ccc(N2CCC(c3cc(Cc4ccccc4)[nH]n3)CC2)nc1.
What is the InChIKey of 6-[4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]pyridine-3-carboxamide?
The InChIKey is SOUZUPGYSKXQPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c22-21(27)17-6-7-20(23-14-17)26-10-8-16(9-11-26)19-13-18(24-25-19)12-15-4-2-1-3-5-15/h1-7,13-14,16H,8-12H2,(H2,22,27)(H,24,25).
What are the key properties of 6-[4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]pyridine-3-carboxamide?
6-[4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]pyridine-3-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 56714296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).