5-[(2S)-1-(5-chloro-6-oxo-1H-pyridine-3-carbonyl)piperidin-2-yl]-1H-pyrazole-3-carboxamide

C15H16ClN5O3 — CID 100677443

IUPAC5-[(2S)-1-(5-chloro-6-oxo-1H-pyridine-3-carbonyl)piperidin-2-yl]-1H-pyrazole-3-carboxamide
SMILESNC(=O)c1cc([C@@H]2CCCCN2C(=O)c2c[nH]c(=O)c(Cl)c2)[nH]n1
InChIInChI=1S/C15H16ClN5O3/c16-9-5-8(7-18-14(9)23)15(24)21-4-2-1-3-12(21)10-6-11(13(17)22)20-19-10/h5-7,12H,1-4H2,(H2,17,22)(H,18,23)(H,19,20)/t12-/m0/s1
InChIKeyNOFYQXBPZAOSHZ-LBPRGKRZSA-N
MW349.78 g/mol
LogP1.22
Rot. Bonds3

About 5-[(2S)-1-(5-chloro-6-oxo-1H-pyridine-3-carbonyl)piperidin-2-yl]-1H-pyrazole-3-carboxamide

5-[(2S)-1-(5-chloro-6-oxo-1H-pyridine-3-carbonyl)piperidin-2-yl]-1H-pyrazole-3-carboxamide (PubChem CID 100677443) has the molecular formula C15H16ClN5O3 and a molecular weight of 349.78 g/mol. Its IUPAC name is 5-[(2S)-1-(5-chloro-6-oxo-1H-pyridine-3-carbonyl)piperidin-2-yl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-[(2S)-1-(5-chloro-6-oxo-1H-pyridine-3-carbonyl)piperidin-2-yl]-1H-pyrazole-3-carboxamide
PubChem CID100677443
Molecular FormulaC15H16ClN5O3
Molecular Weight349.78 g/mol
Exact Mass349.09
IUPAC Name5-[(2S)-1-(5-chloro-6-oxo-1H-pyridine-3-carbonyl)piperidin-2-yl]-1H-pyrazole-3-carboxamide
SMILESNC(=O)c1cc([C@@H]2CCCCN2C(=O)c2c[nH]c(=O)c(Cl)c2)[nH]n1
InChIInChI=1S/C15H16ClN5O3/c16-9-5-8(7-18-14(9)23)15(24)21-4-2-1-3-12(21)10-6-11(13(17)22)20-19-10/h5-7,12H,1-4H2,(H2,17,22)(H,18,23)(H,19,20)/t12-/m0/s1
InChIKeyNOFYQXBPZAOSHZ-LBPRGKRZSA-N
XLogP1.22
TPSA124.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.78
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-[(2S)-1-(5-chloro-6-oxo-1H-pyridine-3-carbonyl)piperidin-2-yl]-1H-pyrazole-3-carboxamide with MolForge

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Related Compounds

5-[(2R)-1-(3-chlorobenzoyl)piperidin-2-yl]-1H-pyrazole-3-carboxamide
CID 100676115
3-chloro-5-[2-(4-methoxyphenyl)azepane-1-carbonyl]-1H-pyridin-2-one
CID 75404382
5-[(2R)-1-[2-(trifluoromethyl)benzoyl]piperidin-2-yl]-1H-pyrazole-3-carboxamide
CID 100676203
5-[(2R)-1-(2-methylsulfanylbenzoyl)piperidin-2-yl]-1H-pyrazole-3-carboxamide
CID 100676612
5-[(2R)-1-(2-ethoxypyridine-3-carbonyl)piperidin-2-yl]-1H-pyrazole-3-carboxamide
CID 100677325
3-chloro-5-(4-cyclopentylpiperazine-1-carbonyl)-1H-pyridin-2-one
CID 56816482
N-cyclopentyl-5-[1-(pyridine-3-carbonyl)piperidin-2-yl]-1H-pyrazole-3-carboxamide
CID 110268878
3-chloro-5-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 56779568
1-[2-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone
CID 110268834
4-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]-1H-pyrrole-2-carboxamide
CID 166193083
[2-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 110268862
3-chloro-5-[(3S)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 124951550

Frequently Asked Questions

What is the IUPAC name of 5-[(2S)-1-(5-chloro-6-oxo-1H-pyridine-3-carbonyl)piperidin-2-yl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-[(2S)-1-(5-chloro-6-oxo-1H-pyridine-3-carbonyl)piperidin-2-yl]-1H-pyrazole-3-carboxamide (CID 100677443) is 5-[(2S)-1-(5-chloro-6-oxo-1H-pyridine-3-carbonyl)piperidin-2-yl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-[(2S)-1-(5-chloro-6-oxo-1H-pyridine-3-carbonyl)piperidin-2-yl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-[(2S)-1-(5-chloro-6-oxo-1H-pyridine-3-carbonyl)piperidin-2-yl]-1H-pyrazole-3-carboxamide is NC(=O)c1cc([C@@H]2CCCCN2C(=O)c2c[nH]c(=O)c(Cl)c2)[nH]n1.
What is the InChIKey of 5-[(2S)-1-(5-chloro-6-oxo-1H-pyridine-3-carbonyl)piperidin-2-yl]-1H-pyrazole-3-carboxamide?
The InChIKey is NOFYQXBPZAOSHZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H16ClN5O3/c16-9-5-8(7-18-14(9)23)15(24)21-4-2-1-3-12(21)10-6-11(13(17)22)20-19-10/h5-7,12H,1-4H2,(H2,17,22)(H,18,23)(H,19,20)/t12-/m0/s1.
What are the key properties of 5-[(2S)-1-(5-chloro-6-oxo-1H-pyridine-3-carbonyl)piperidin-2-yl]-1H-pyrazole-3-carboxamide?
5-[(2S)-1-(5-chloro-6-oxo-1H-pyridine-3-carbonyl)piperidin-2-yl]-1H-pyrazole-3-carboxamide has a molecular weight of 349.78 g/mol, XLogP of 1.22, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S)-1-(5-chloro-6-oxo-1H-pyridine-3-carbonyl)piperidin-2-yl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 100677443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).