1-methyl-6-oxo-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-3-carboxamide

C17H24N4O2 — CID 50968934

IUPAC1-methyl-6-oxo-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-3-carboxamide
SMILESCc1nn(C)c(C)c1CN(C(=O)c1ccc(=O)n(C)c1)C(C)C
InChIInChI=1S/C17H24N4O2/c1-11(2)21(10-15-12(3)18-20(6)13(15)4)17(23)14-7-8-16(22)19(5)9-14/h7-9,11H,10H2,1-6H3
InChIKeyHJKJLDKHMNUVRM-UHFFFAOYSA-N
MW316.41 g/mol
LogP1.79
Rot. Bonds4

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

1-methyl-6-oxo-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-3-carboxamide (PubChem CID 50968934) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is 1-methyl-6-oxo-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-6-oxo-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-3-carboxamide
PubChem CID50968934
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC Name1-methyl-6-oxo-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-3-carboxamide
SMILESCc1nn(C)c(C)c1CN(C(=O)c1ccc(=O)n(C)c1)C(C)C
InChIInChI=1S/C17H24N4O2/c1-11(2)21(10-15-12(3)18-20(6)13(15)4)17(23)14-7-8-16(22)19(5)9-14/h7-9,11H,10H2,1-6H3
InChIKeyHJKJLDKHMNUVRM-UHFFFAOYSA-N
XLogP1.79
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-oxo-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of 1-methyl-6-oxo-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-3-carboxamide (CID 50968934) is 1-methyl-6-oxo-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 1-methyl-6-oxo-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 1-methyl-6-oxo-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-3-carboxamide is Cc1nn(C)c(C)c1CN(C(=O)c1ccc(=O)n(C)c1)C(C)C.
What is the InChIKey of 1-methyl-6-oxo-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-3-carboxamide?
The InChIKey is HJKJLDKHMNUVRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-11(2)21(10-15-12(3)18-20(6)13(15)4)17(23)14-7-8-16(22)19(5)9-14/h7-9,11H,10H2,1-6H3.
What are the key properties of 1-methyl-6-oxo-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-3-carboxamide?
1-methyl-6-oxo-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-3-carboxamide has a molecular weight of 316.41 g/mol, XLogP of 1.79, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-oxo-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 50968934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).