4,6-dimethyl-2-oxo-N-[1-(2-pyrazol-1-ylphenyl)ethyl]-1H-pyridine-3-carboxamide

C19H20N4O2 — CID 131924136

IUPAC4,6-dimethyl-2-oxo-N-[1-(2-pyrazol-1-ylphenyl)ethyl]-1H-pyridine-3-carboxamide
SMILESCc1cc(C)c(C(=O)NC(C)c2ccccc2-n2cccn2)c(=O)[nH]1
InChIInChI=1S/C19H20N4O2/c1-12-11-13(2)21-18(24)17(12)19(25)22-14(3)15-7-4-5-8-16(15)23-10-6-9-20-23/h4-11,14H,1-3H3,(H,21,24)(H,22,25)
InChIKeyVWNXIZXVAPJQMV-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.67
Rot. Bonds4

About 4,6-dimethyl-2-oxo-N-[1-(2-pyrazol-1-ylphenyl)ethyl]-1H-pyridine-3-carboxamide

4,6-dimethyl-2-oxo-N-[1-(2-pyrazol-1-ylphenyl)ethyl]-1H-pyridine-3-carboxamide (PubChem CID 131924136) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 4,6-dimethyl-2-oxo-N-[1-(2-pyrazol-1-ylphenyl)ethyl]-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name4,6-dimethyl-2-oxo-N-[1-(2-pyrazol-1-ylphenyl)ethyl]-1H-pyridine-3-carboxamide
PubChem CID131924136
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name4,6-dimethyl-2-oxo-N-[1-(2-pyrazol-1-ylphenyl)ethyl]-1H-pyridine-3-carboxamide
SMILESCc1cc(C)c(C(=O)NC(C)c2ccccc2-n2cccn2)c(=O)[nH]1
InChIInChI=1S/C19H20N4O2/c1-12-11-13(2)21-18(24)17(12)19(25)22-14(3)15-7-4-5-8-16(15)23-10-6-9-20-23/h4-11,14H,1-3H3,(H,21,24)(H,22,25)
InChIKeyVWNXIZXVAPJQMV-UHFFFAOYSA-N
XLogP2.67
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-[1-(2-pyrazol-1-ylphenyl)ethyl]pyridine-2-carboxamide
CID 91773190
2-oxo-N-[1-(2-pyrazol-1-ylphenyl)ethyl]-1H-quinoline-4-carboxamide
CID 72873584
6-methyl-4-oxo-N-[1-(2-pyrazol-1-ylphenyl)ethyl]pyran-2-carboxamide
CID 90649963
1-(difluoromethyl)-N-[1-(2-pyrazol-1-ylphenyl)ethyl]pyrazole-3-carboxamide
CID 131925735
2-methyl-3-oxo-3-[1-(2-pyrazol-1-ylphenyl)ethylamino]propanoic acid
CID 122065751
4-(1H-pyrazol-5-yl)-N-[1-(2-pyrazol-1-ylphenyl)ethyl]benzamide
CID 72879633
N-[(1R)-1-(2-pyrazol-1-ylphenyl)ethyl]-4-(1,2,4-triazol-4-yl)benzamide
CID 95130579
N-[1-(2-pyrazol-1-ylphenyl)ethyl]-4-(1,2,4-triazol-4-yl)benzamide
CID 50967869
N-[(1S)-1-(2-pyrazol-1-ylphenyl)ethyl]-4-(1,2,4-triazol-4-yl)benzamide
CID 95130577
2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[1-(2-pyrazol-1-ylphenyl)ethyl]acetamide
CID 91837818
N-propan-2-yl-2-[[(1S)-1-(2-pyrazol-1-ylphenyl)ethyl]amino]acetamide
CID 97085171
1-[1-(2-pyrazol-1-ylphenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 120550077

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-oxo-N-[1-(2-pyrazol-1-ylphenyl)ethyl]-1H-pyridine-3-carboxamide?
The IUPAC name of 4,6-dimethyl-2-oxo-N-[1-(2-pyrazol-1-ylphenyl)ethyl]-1H-pyridine-3-carboxamide (CID 131924136) is 4,6-dimethyl-2-oxo-N-[1-(2-pyrazol-1-ylphenyl)ethyl]-1H-pyridine-3-carboxamide.
What is the SMILES notation for 4,6-dimethyl-2-oxo-N-[1-(2-pyrazol-1-ylphenyl)ethyl]-1H-pyridine-3-carboxamide?
The canonical SMILES for 4,6-dimethyl-2-oxo-N-[1-(2-pyrazol-1-ylphenyl)ethyl]-1H-pyridine-3-carboxamide is Cc1cc(C)c(C(=O)NC(C)c2ccccc2-n2cccn2)c(=O)[nH]1.
What is the InChIKey of 4,6-dimethyl-2-oxo-N-[1-(2-pyrazol-1-ylphenyl)ethyl]-1H-pyridine-3-carboxamide?
The InChIKey is VWNXIZXVAPJQMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-12-11-13(2)21-18(24)17(12)19(25)22-14(3)15-7-4-5-8-16(15)23-10-6-9-20-23/h4-11,14H,1-3H3,(H,21,24)(H,22,25).
What are the key properties of 4,6-dimethyl-2-oxo-N-[1-(2-pyrazol-1-ylphenyl)ethyl]-1H-pyridine-3-carboxamide?
4,6-dimethyl-2-oxo-N-[1-(2-pyrazol-1-ylphenyl)ethyl]-1H-pyridine-3-carboxamide has a molecular weight of 336.40 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-oxo-N-[1-(2-pyrazol-1-ylphenyl)ethyl]-1H-pyridine-3-carboxamide is sourced from PubChem (CID 131924136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).