2-(3-cyano-4-methyl-2-oxo-1-pyridinyl)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide

C19H17N5O2 — CID 86795367

IUPAC2-(3-cyano-4-methyl-2-oxo-1-pyridinyl)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
SMILESCc1ccn(CC(=O)NCc2cnn(-c3ccccc3)c2)c(=O)c1C#N
InChIInChI=1S/C19H17N5O2/c1-14-7-8-23(19(26)17(14)9-20)13-18(25)21-10-15-11-22-24(12-15)16-5-3-2-4-6-16/h2-8,11-12H,10,13H2,1H3,(H,21,25)
InChIKeyLJVLUSFPLILIDQ-UHFFFAOYSA-N
MW347.38 g/mol
LogP1.53
Rot. Bonds5

About 2-(3-cyano-4-methyl-2-oxo-1-pyridinyl)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide

2-(3-cyano-4-methyl-2-oxo-1-pyridinyl)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide (PubChem CID 86795367) has the molecular formula C19H17N5O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is 2-(3-cyano-4-methyl-2-oxo-1-pyridinyl)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(3-cyano-4-methyl-2-oxo-1-pyridinyl)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
PubChem CID86795367
Molecular FormulaC19H17N5O2
Molecular Weight347.38 g/mol
Exact Mass347.14
IUPAC Name2-(3-cyano-4-methyl-2-oxo-1-pyridinyl)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
SMILESCc1ccn(CC(=O)NCc2cnn(-c3ccccc3)c2)c(=O)c1C#N
InChIInChI=1S/C19H17N5O2/c1-14-7-8-23(19(26)17(14)9-20)13-18(25)21-10-15-11-22-24(12-15)16-5-3-2-4-6-16/h2-8,11-12H,10,13H2,1H3,(H,21,25)
InChIKeyLJVLUSFPLILIDQ-UHFFFAOYSA-N
XLogP1.53
TPSA92.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-2-oxo-1-[(1-phenylpyrazol-4-yl)methyl]pyridine-3-carbonitrile
CID 86795241
2-(3-cyano-4-methyl-2-oxo-1-pyridinyl)-N-[(3-methoxyphenyl)methyl]acetamide
CID 75430569
2-(5-bromo-2-oxo-1-pyridinyl)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 37340334
N-[(4-cyanophenyl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 134035531
N-[(1-phenylpyrazol-4-yl)methyl]-2-(propan-2-ylamino)acetamide
CID 60718562
2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 32720733
3-amino-N-[(1-phenylpyrazol-4-yl)methyl]butanamide;hydrochloride
CID 119699560
2-(4-ethoxyphenyl)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 26078765
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 35369573
N-[(3-fluoro-4-methylphenyl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 18152786
5-chloro-N-[(1-phenylpyrazol-4-yl)methyl]pentanamide
CID 43347095
3-(ethylamino)-N-[(1-phenylpyrazol-4-yl)methyl]butanamide
CID 62838193

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyano-4-methyl-2-oxo-1-pyridinyl)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide?
The IUPAC name of 2-(3-cyano-4-methyl-2-oxo-1-pyridinyl)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide (CID 86795367) is 2-(3-cyano-4-methyl-2-oxo-1-pyridinyl)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide.
What is the SMILES notation for 2-(3-cyano-4-methyl-2-oxo-1-pyridinyl)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide?
The canonical SMILES for 2-(3-cyano-4-methyl-2-oxo-1-pyridinyl)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide is Cc1ccn(CC(=O)NCc2cnn(-c3ccccc3)c2)c(=O)c1C#N.
What is the InChIKey of 2-(3-cyano-4-methyl-2-oxo-1-pyridinyl)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide?
The InChIKey is LJVLUSFPLILIDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2/c1-14-7-8-23(19(26)17(14)9-20)13-18(25)21-10-15-11-22-24(12-15)16-5-3-2-4-6-16/h2-8,11-12H,10,13H2,1H3,(H,21,25).
What are the key properties of 2-(3-cyano-4-methyl-2-oxo-1-pyridinyl)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide?
2-(3-cyano-4-methyl-2-oxo-1-pyridinyl)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide has a molecular weight of 347.38 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyano-4-methyl-2-oxo-1-pyridinyl)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide is sourced from PubChem (CID 86795367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).