4-methyl-N-[4-(propan-2-ylcarbamoyl)phenyl]pyridine-3-carboxamide

C17H19N3O2 — CID 131941237

IUPAC4-methyl-N-[4-(propan-2-ylcarbamoyl)phenyl]pyridine-3-carboxamide
SMILESCc1ccncc1C(=O)Nc1ccc(C(=O)NC(C)C)cc1
InChIInChI=1S/C17H19N3O2/c1-11(2)19-16(21)13-4-6-14(7-5-13)20-17(22)15-10-18-9-8-12(15)3/h4-11H,1-3H3,(H,19,21)(H,20,22)
InChIKeyUVHHJDUKIJJSBD-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.78
Rot. Bonds4

About 4-methyl-N-[4-(propan-2-ylcarbamoyl)phenyl]pyridine-3-carboxamide

4-methyl-N-[4-(propan-2-ylcarbamoyl)phenyl]pyridine-3-carboxamide (PubChem CID 131941237) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 4-methyl-N-[4-(propan-2-ylcarbamoyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[4-(propan-2-ylcarbamoyl)phenyl]pyridine-3-carboxamide
PubChem CID131941237
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name4-methyl-N-[4-(propan-2-ylcarbamoyl)phenyl]pyridine-3-carboxamide
SMILESCc1ccncc1C(=O)Nc1ccc(C(=O)NC(C)C)cc1
InChIInChI=1S/C17H19N3O2/c1-11(2)19-16(21)13-4-6-14(7-5-13)20-17(22)15-10-18-9-8-12(15)3/h4-11H,1-3H3,(H,19,21)(H,20,22)
InChIKeyUVHHJDUKIJJSBD-UHFFFAOYSA-N
XLogP2.78
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(propan-2-ylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 26157561
4-methyl-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 110860907
N-(4-ethylphenyl)-4-methylpyridine-3-carboxamide
CID 110857788
N-propan-2-yl-4-pyridin-4-ylbenzamide
CID 18337148
2,4,5-trimethoxy-N-[4-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 131950606
3-N-(3-bromo-4-methylphenyl)-5-N-propan-2-ylpyridine-3,5-dicarboxamide
CID 109101453
2-methyl-N-[3-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 17197346
methyl 4-[(4-aminopyridine-3-carbonyl)amino]benzoate
CID 110861759
N-[3-(propan-2-ylcarbamoyl)phenyl]pyridine-4-carboxamide
CID 17197451
4-amino-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 81235962
4-(18F)fluoro-N-propan-2-ylpyridine-3-carboxamide
CID 172512860
N-[4-(2-hydroxyethyl)-3-(4-methylanilino)sulfanylphenyl]-4-methylpyridine-3-carboxamide
CID 156860036

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[4-(propan-2-ylcarbamoyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 4-methyl-N-[4-(propan-2-ylcarbamoyl)phenyl]pyridine-3-carboxamide (CID 131941237) is 4-methyl-N-[4-(propan-2-ylcarbamoyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 4-methyl-N-[4-(propan-2-ylcarbamoyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 4-methyl-N-[4-(propan-2-ylcarbamoyl)phenyl]pyridine-3-carboxamide is Cc1ccncc1C(=O)Nc1ccc(C(=O)NC(C)C)cc1.
What is the InChIKey of 4-methyl-N-[4-(propan-2-ylcarbamoyl)phenyl]pyridine-3-carboxamide?
The InChIKey is UVHHJDUKIJJSBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-11(2)19-16(21)13-4-6-14(7-5-13)20-17(22)15-10-18-9-8-12(15)3/h4-11H,1-3H3,(H,19,21)(H,20,22).
What are the key properties of 4-methyl-N-[4-(propan-2-ylcarbamoyl)phenyl]pyridine-3-carboxamide?
4-methyl-N-[4-(propan-2-ylcarbamoyl)phenyl]pyridine-3-carboxamide has a molecular weight of 297.36 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[4-(propan-2-ylcarbamoyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 131941237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).