6-methyl-4-oxo-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1H-pyridine-2-carboxamide

C17H16N4O2 — CID 121498985

IUPAC6-methyl-4-oxo-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1H-pyridine-2-carboxamide
SMILESCc1cc(=O)cc(C(=O)NCc2cn[nH]c2-c2ccccc2)[nH]1
InChIInChI=1S/C17H16N4O2/c1-11-7-14(22)8-15(20-11)17(23)18-9-13-10-19-21-16(13)12-5-3-2-4-6-12/h2-8,10H,9H2,1H3,(H,18,23)(H,19,21)(H,20,22)
InChIKeyXIHHOOKIXKOMLJ-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.00
Rot. Bonds4

About 6-methyl-4-oxo-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1H-pyridine-2-carboxamide

6-methyl-4-oxo-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1H-pyridine-2-carboxamide (PubChem CID 121498985) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 6-methyl-4-oxo-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1H-pyridine-2-carboxamide.

Molecular Properties

Compound Name6-methyl-4-oxo-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1H-pyridine-2-carboxamide
PubChem CID121498985
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Name6-methyl-4-oxo-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1H-pyridine-2-carboxamide
SMILESCc1cc(=O)cc(C(=O)NCc2cn[nH]c2-c2ccccc2)[nH]1
InChIInChI=1S/C17H16N4O2/c1-11-7-14(22)8-15(20-11)17(23)18-9-13-10-19-21-16(13)12-5-3-2-4-6-12/h2-8,10H,9H2,1H3,(H,18,23)(H,19,21)(H,20,22)
InChIKeyXIHHOOKIXKOMLJ-UHFFFAOYSA-N
XLogP2.00
TPSA90.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-2,4-dioxo-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1H-quinazoline-7-carboxamide
CID 167799941
N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-3-(1H-1,2,4-triazol-5-yl)benzamide
CID 119067217
N,4,6-trimethyl-2-oxo-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1H-pyridine-3-carboxamide
CID 50959051
N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide
CID 167887384
N,N-dimethyl-2-[(5-phenyl-1H-pyrazol-4-yl)methylamino]acetamide
CID 60664694
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 54896283
2-[(5-phenyl-1H-pyrazol-4-yl)methylamino]-N-propylacetamide
CID 60663784
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrrole-2-carboxamide
CID 60768162
5-(4-methylphenyl)-N-[(2-methylphenyl)methyl]-1H-pyrazole-4-carboxamide
CID 71824609
1-[(5-phenyl-1H-pyrazol-4-yl)methylamino]propan-2-ol
CID 3969875
N-[(2-methylphenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 8889561
methyl (2S)-3-methyl-2-[(5-phenyl-1H-pyrazol-4-yl)methylamino]butanoate
CID 61142712

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-oxo-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1H-pyridine-2-carboxamide?
The IUPAC name of 6-methyl-4-oxo-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1H-pyridine-2-carboxamide (CID 121498985) is 6-methyl-4-oxo-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1H-pyridine-2-carboxamide.
What is the SMILES notation for 6-methyl-4-oxo-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1H-pyridine-2-carboxamide?
The canonical SMILES for 6-methyl-4-oxo-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1H-pyridine-2-carboxamide is Cc1cc(=O)cc(C(=O)NCc2cn[nH]c2-c2ccccc2)[nH]1.
What is the InChIKey of 6-methyl-4-oxo-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1H-pyridine-2-carboxamide?
The InChIKey is XIHHOOKIXKOMLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c1-11-7-14(22)8-15(20-11)17(23)18-9-13-10-19-21-16(13)12-5-3-2-4-6-12/h2-8,10H,9H2,1H3,(H,18,23)(H,19,21)(H,20,22).
What are the key properties of 6-methyl-4-oxo-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1H-pyridine-2-carboxamide?
6-methyl-4-oxo-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1H-pyridine-2-carboxamide has a molecular weight of 308.34 g/mol, XLogP of 2.00, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-oxo-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1H-pyridine-2-carboxamide is sourced from PubChem (CID 121498985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).