5-chloro-4,6-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-2-oxo-N-propan-2-yl-1H-pyridine-3-carboxamide

C16H21ClN4O2 — CID 56865807

IUPAC5-chloro-4,6-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-2-oxo-N-propan-2-yl-1H-pyridine-3-carboxamide
SMILESCc1[nH]c(=O)c(C(=O)N(Cc2cnn(C)c2)C(C)C)c(C)c1Cl
InChIInChI=1S/C16H21ClN4O2/c1-9(2)21(8-12-6-18-20(5)7-12)16(23)13-10(3)14(17)11(4)19-15(13)22/h6-7,9H,8H2,1-5H3,(H,19,22)
InChIKeyPRVXTGGWVJUIHY-UHFFFAOYSA-N
MW336.82 g/mol
LogP2.43
Rot. Bonds4

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

5-chloro-4,6-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-2-oxo-N-propan-2-yl-1H-pyridine-3-carboxamide (PubChem CID 56865807) has the molecular formula C16H21ClN4O2 and a molecular weight of 336.82 g/mol. Its IUPAC name is 5-chloro-4,6-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-2-oxo-N-propan-2-yl-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-4,6-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-2-oxo-N-propan-2-yl-1H-pyridine-3-carboxamide
PubChem CID56865807
Molecular FormulaC16H21ClN4O2
Molecular Weight336.82 g/mol
Exact Mass336.14
IUPAC Name5-chloro-4,6-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-2-oxo-N-propan-2-yl-1H-pyridine-3-carboxamide
SMILESCc1[nH]c(=O)c(C(=O)N(Cc2cnn(C)c2)C(C)C)c(C)c1Cl
InChIInChI=1S/C16H21ClN4O2/c1-9(2)21(8-12-6-18-20(5)7-12)16(23)13-10(3)14(17)11(4)19-15(13)22/h6-7,9H,8H2,1-5H3,(H,19,22)
InChIKeyPRVXTGGWVJUIHY-UHFFFAOYSA-N
XLogP2.43
TPSA70.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.82
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-N-[(1-isopropyl-1H-pyrazol-4-yl)methyl]-N,6-dimethylnicotinamide
CID 29257580
N-cyclohexyl-2-hydroxy-5,6-dimethyl-N-[(1-methyl-1H-pyrazol-4-yl)methyl]nicotinamide
CID 70768065
1-ethyl-N-[(1-isopropyl-1H-pyrazol-4-yl)methyl]-N-methyl-2-oxo-1,2-dihydropyridine-4-carboxamide
CID 77093642
6-oxo-N-[(1-propyl-1H-pyrazol-4-yl)methyl]-1,6-dihydropyridine-3-carboxamide
CID 91761019
6-ethyl-N,5-dimethyl-2-oxo-N-(2-pyrazol-1-ylethyl)-1H-pyridine-3-carboxamide
CID 138026106
5-N-cyclobutyl-3-N-methyl-1-[(1-methylpyrazol-4-yl)methyl]-2-oxopyridine-3,5-dicarboxamide
CID 126648450
3-Chloro-1,4-dimethyl-6-(1-propan-2-ylpyrazole-4-carbonyl)-5,7-dihydropyrrolo[3,4-b]pyridin-2-one
CID 171808253
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-methylpyrazole-4-carboxamide
CID 8244245
5,6-dimethyl-3-[[methyl-[(1-propan-2-ylpyrazol-4-yl)methyl]amino]methyl]-1H-pyridin-2-one
CID 31043549
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 47141679
N-[(1-methylpyrazol-4-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 47364491
(E)-3-(1-methylpyrazol-4-yl)-N-(6-oxo-1-propyl-3-pyridinyl)prop-2-enamide
CID 51092287

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4,6-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-2-oxo-N-propan-2-yl-1H-pyridine-3-carboxamide?
The IUPAC name of 5-chloro-4,6-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-2-oxo-N-propan-2-yl-1H-pyridine-3-carboxamide (CID 56865807) is 5-chloro-4,6-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-2-oxo-N-propan-2-yl-1H-pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-4,6-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-2-oxo-N-propan-2-yl-1H-pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-4,6-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-2-oxo-N-propan-2-yl-1H-pyridine-3-carboxamide is Cc1[nH]c(=O)c(C(=O)N(Cc2cnn(C)c2)C(C)C)c(C)c1Cl.
What is the InChIKey of 5-chloro-4,6-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-2-oxo-N-propan-2-yl-1H-pyridine-3-carboxamide?
The InChIKey is PRVXTGGWVJUIHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN4O2/c1-9(2)21(8-12-6-18-20(5)7-12)16(23)13-10(3)14(17)11(4)19-15(13)22/h6-7,9H,8H2,1-5H3,(H,19,22).
What are the key properties of 5-chloro-4,6-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-2-oxo-N-propan-2-yl-1H-pyridine-3-carboxamide?
5-chloro-4,6-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-2-oxo-N-propan-2-yl-1H-pyridine-3-carboxamide has a molecular weight of 336.82 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4,6-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-2-oxo-N-propan-2-yl-1H-pyridine-3-carboxamide is sourced from PubChem (CID 56865807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).