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

C16H21ClN4O2 — CID 46989245

IUPAC5-chloro-2-oxo-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1H-pyridine-3-carboxamide
SMILESCc1nn(C)c(C)c1CN(C(=O)c1cc(Cl)c[nH]c1=O)C(C)C
InChIInChI=1S/C16H21ClN4O2/c1-9(2)21(8-14-10(3)19-20(5)11(14)4)16(23)13-6-12(17)7-18-15(13)22/h6-7,9H,8H2,1-5H3,(H,18,22)
InChIKeyGTNJHNGMYVJLPV-UHFFFAOYSA-N
MW336.82 g/mol
LogP2.43
Rot. Bonds4

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

5-chloro-2-oxo-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1H-pyridine-3-carboxamide (PubChem CID 46989245) has the molecular formula C16H21ClN4O2 and a molecular weight of 336.82 g/mol. Its IUPAC name is 5-chloro-2-oxo-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-2-oxo-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1H-pyridine-3-carboxamide
PubChem CID46989245
Molecular FormulaC16H21ClN4O2
Molecular Weight336.82 g/mol
Exact Mass336.14
IUPAC Name5-chloro-2-oxo-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1H-pyridine-3-carboxamide
SMILESCc1nn(C)c(C)c1CN(C(=O)c1cc(Cl)c[nH]c1=O)C(C)C
InChIInChI=1S/C16H21ClN4O2/c1-9(2)21(8-14-10(3)19-20(5)11(14)4)16(23)13-6-12(17)7-18-15(13)22/h6-7,9H,8H2,1-5H3,(H,18,22)
InChIKeyGTNJHNGMYVJLPV-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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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-oxo-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1H-pyridine-3-carboxamide?
The IUPAC name of 5-chloro-2-oxo-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1H-pyridine-3-carboxamide (CID 46989245) is 5-chloro-2-oxo-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1H-pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-2-oxo-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1H-pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-2-oxo-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1H-pyridine-3-carboxamide is Cc1nn(C)c(C)c1CN(C(=O)c1cc(Cl)c[nH]c1=O)C(C)C.
What is the InChIKey of 5-chloro-2-oxo-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1H-pyridine-3-carboxamide?
The InChIKey is GTNJHNGMYVJLPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN4O2/c1-9(2)21(8-14-10(3)19-20(5)11(14)4)16(23)13-6-12(17)7-18-15(13)22/h6-7,9H,8H2,1-5H3,(H,18,22).
What are the key properties of 5-chloro-2-oxo-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1H-pyridine-3-carboxamide?
5-chloro-2-oxo-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-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-2-oxo-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1H-pyridine-3-carboxamide is sourced from PubChem (CID 46989245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).