N-[1-[(3-chlorophenyl)methyl]-4-methylpyrazol-5-yl]-2-methyl-6-oxo-1H-pyridine-4-carboxamide

C18H17ClN4O2 — CID 46989054

IUPACN-[1-[(3-chlorophenyl)methyl]-4-methylpyrazol-5-yl]-2-methyl-6-oxo-1H-pyridine-4-carboxamide
SMILESCc1cc(C(=O)Nc2c(C)cnn2Cc2cccc(Cl)c2)cc(=O)[nH]1
InChIInChI=1S/C18H17ClN4O2/c1-11-9-20-23(10-13-4-3-5-15(19)7-13)17(11)22-18(25)14-6-12(2)21-16(24)8-14/h3-9H,10H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyKOBWMSVWHLOUSV-UHFFFAOYSA-N
MW356.81 g/mol
LogP3.14
Rot. Bonds4

About N-[1-[(3-chlorophenyl)methyl]-4-methylpyrazol-5-yl]-2-methyl-6-oxo-1H-pyridine-4-carboxamide

N-[1-[(3-chlorophenyl)methyl]-4-methylpyrazol-5-yl]-2-methyl-6-oxo-1H-pyridine-4-carboxamide (PubChem CID 46989054) has the molecular formula C18H17ClN4O2 and a molecular weight of 356.81 g/mol. Its IUPAC name is N-[1-[(3-chlorophenyl)methyl]-4-methylpyrazol-5-yl]-2-methyl-6-oxo-1H-pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-[(3-chlorophenyl)methyl]-4-methylpyrazol-5-yl]-2-methyl-6-oxo-1H-pyridine-4-carboxamide
PubChem CID46989054
Molecular FormulaC18H17ClN4O2
Molecular Weight356.81 g/mol
Exact Mass356.10
IUPAC NameN-[1-[(3-chlorophenyl)methyl]-4-methylpyrazol-5-yl]-2-methyl-6-oxo-1H-pyridine-4-carboxamide
SMILESCc1cc(C(=O)Nc2c(C)cnn2Cc2cccc(Cl)c2)cc(=O)[nH]1
InChIInChI=1S/C18H17ClN4O2/c1-11-9-20-23(10-13-4-3-5-15(19)7-13)17(11)22-18(25)14-6-12(2)21-16(24)8-14/h3-9H,10H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyKOBWMSVWHLOUSV-UHFFFAOYSA-N
XLogP3.14
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-{[(1r)-1-(4-Chlorophenyl)ethyl]amino}-1-Cyclopentyl-1,5-Dihydro-4h-Pyrazolo[3,4-D]pyrimidin-4-One
CID 136969934
7-Amino-4-[(3-chlorophenyl)methyl]-10-ethenyl-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraen-5-one
CID 44217847
6-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135567004
5-benzyl-6-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-1-propan-2-ylpyrazolo[5,4-d]pyrimidin-4-one
CID 156013087
1-Tert-butyl-5-[(3-chlorophenyl)methyl]-1H,4H,5H-pyrazolo[3,4-D]pyrimidin-4-one
CID 16193594
4-chloro-N-(1-methyl-1H-pyrazol-3-yl)benzamide
CID 16619202
7-Amino-4-[(3-chlorophenyl)methyl]-10-[2-(dimethylamino)ethyl]-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraen-5-one
CID 44218327
N-[(4-chlorophenyl)methyl]-6-oxo-2-pyrazol-1-yl-1H-pyrimidine-5-carboxamide
CID 44231907
7-(3,4-dichlorophenyl)-5-methyl-N-(2-phenylethyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 135433132
CID 135443450
CID 135443450
[7-(3,4-Dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-piperidin-1-ylmethanone
CID 135532460
CID 135532473
CID 135532473

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-chlorophenyl)methyl]-4-methylpyrazol-5-yl]-2-methyl-6-oxo-1H-pyridine-4-carboxamide?
The IUPAC name of N-[1-[(3-chlorophenyl)methyl]-4-methylpyrazol-5-yl]-2-methyl-6-oxo-1H-pyridine-4-carboxamide (CID 46989054) is N-[1-[(3-chlorophenyl)methyl]-4-methylpyrazol-5-yl]-2-methyl-6-oxo-1H-pyridine-4-carboxamide.
What is the SMILES notation for N-[1-[(3-chlorophenyl)methyl]-4-methylpyrazol-5-yl]-2-methyl-6-oxo-1H-pyridine-4-carboxamide?
The canonical SMILES for N-[1-[(3-chlorophenyl)methyl]-4-methylpyrazol-5-yl]-2-methyl-6-oxo-1H-pyridine-4-carboxamide is Cc1cc(C(=O)Nc2c(C)cnn2Cc2cccc(Cl)c2)cc(=O)[nH]1.
What is the InChIKey of N-[1-[(3-chlorophenyl)methyl]-4-methylpyrazol-5-yl]-2-methyl-6-oxo-1H-pyridine-4-carboxamide?
The InChIKey is KOBWMSVWHLOUSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O2/c1-11-9-20-23(10-13-4-3-5-15(19)7-13)17(11)22-18(25)14-6-12(2)21-16(24)8-14/h3-9H,10H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of N-[1-[(3-chlorophenyl)methyl]-4-methylpyrazol-5-yl]-2-methyl-6-oxo-1H-pyridine-4-carboxamide?
N-[1-[(3-chlorophenyl)methyl]-4-methylpyrazol-5-yl]-2-methyl-6-oxo-1H-pyridine-4-carboxamide has a molecular weight of 356.81 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-chlorophenyl)methyl]-4-methylpyrazol-5-yl]-2-methyl-6-oxo-1H-pyridine-4-carboxamide is sourced from PubChem (CID 46989054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).