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

C16H22N4O2 — CID 122131442

IUPAC2-ethyl-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-6-oxo-1H-pyridine-4-carboxamide
SMILESCCc1cc(C(=O)N(C)Cc2cnn(CC)c2C)cc(=O)[nH]1
InChIInChI=1S/C16H22N4O2/c1-5-14-7-12(8-15(21)18-14)16(22)19(4)10-13-9-17-20(6-2)11(13)3/h7-9H,5-6,10H2,1-4H3,(H,18,21)
InChIKeyGWSJCSQCBURXHY-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.73
Rot. Bonds5

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

2-ethyl-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-6-oxo-1H-pyridine-4-carboxamide (PubChem CID 122131442) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 2-ethyl-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-6-oxo-1H-pyridine-4-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-6-oxo-1H-pyridine-4-carboxamide
PubChem CID122131442
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name2-ethyl-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-6-oxo-1H-pyridine-4-carboxamide
SMILESCCc1cc(C(=O)N(C)Cc2cnn(CC)c2C)cc(=O)[nH]1
InChIInChI=1S/C16H22N4O2/c1-5-14-7-12(8-15(21)18-14)16(22)19(4)10-13-9-17-20(6-2)11(13)3/h7-9H,5-6,10H2,1-4H3,(H,18,21)
InChIKeyGWSJCSQCBURXHY-UHFFFAOYSA-N
XLogP1.73
TPSA70.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(E)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-(1-methylpyrazol-4-yl)prop-2-enamide
CID 844533
N-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-3-(1-methyl-1H-pyrazol-4-yl)acrylamide
CID 1235959
N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-3-(1-ethyl-5-methyl-1H-pyrazol-4-yl)acrylamide
CID 844536
N-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-(1-ethyl-5-methyl-1H-pyrazol-4-yl)acrylamide
CID 844508
1-methyl-2-oxo-N-{2-[3-(trifluoromethyl)-1H-pyrazol-1-yl]ethyl}-1,2-dihydropyridine-3-carboxamide
CID 71808010
6-(2-methylpropyl)-4-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 84596675
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-methyl-1-propan-2-ylpyrazole-4-carboxamide
CID 168272756
5-(1-Ethyl-5-methylpyrazole-4-carbonyl)-1,5-diazacycloundecan-2-one
CID 110201430
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1,5-dimethylpyrazole-4-carboxamide
CID 41416719
N-cyclohexyl-2-hydroxy-5,6-dimethyl-N-[(1-methyl-1H-pyrazol-4-yl)methyl]nicotinamide
CID 70768065
N-[(2-methylpyrazol-3-yl)methyl]-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
CID 71891693
5-methyl-N-[3-(6-methyl-2-oxo-1(2H)-pyridinyl)propyl]-1-propyl-1H-pyrazole-4-carboxamide
CID 72907527

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-6-oxo-1H-pyridine-4-carboxamide?
The IUPAC name of 2-ethyl-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-6-oxo-1H-pyridine-4-carboxamide (CID 122131442) is 2-ethyl-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-6-oxo-1H-pyridine-4-carboxamide.
What is the SMILES notation for 2-ethyl-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-6-oxo-1H-pyridine-4-carboxamide?
The canonical SMILES for 2-ethyl-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-6-oxo-1H-pyridine-4-carboxamide is CCc1cc(C(=O)N(C)Cc2cnn(CC)c2C)cc(=O)[nH]1.
What is the InChIKey of 2-ethyl-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-6-oxo-1H-pyridine-4-carboxamide?
The InChIKey is GWSJCSQCBURXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-5-14-7-12(8-15(21)18-14)16(22)19(4)10-13-9-17-20(6-2)11(13)3/h7-9H,5-6,10H2,1-4H3,(H,18,21).
What are the key properties of 2-ethyl-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-6-oxo-1H-pyridine-4-carboxamide?
2-ethyl-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-6-oxo-1H-pyridine-4-carboxamide has a molecular weight of 302.38 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-6-oxo-1H-pyridine-4-carboxamide is sourced from PubChem (CID 122131442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).