6-methyl-N-[2-(prop-2-enylcarbamoyl)phenyl]pyridine-3-carboxamide

C17H17N3O2 — CID 18158456

IUPAC6-methyl-N-[2-(prop-2-enylcarbamoyl)phenyl]pyridine-3-carboxamide
SMILESC=CCNC(=O)c1ccccc1NC(=O)c1ccc(C)nc1
InChIInChI=1S/C17H17N3O2/c1-3-10-18-17(22)14-6-4-5-7-15(14)20-16(21)13-9-8-12(2)19-11-13/h3-9,11H,1,10H2,2H3,(H,18,22)(H,20,21)
InChIKeyQAGIMPQKPYVJDK-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.56
Rot. Bonds5

About 6-methyl-N-[2-(prop-2-enylcarbamoyl)phenyl]pyridine-3-carboxamide

6-methyl-N-[2-(prop-2-enylcarbamoyl)phenyl]pyridine-3-carboxamide (PubChem CID 18158456) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 6-methyl-N-[2-(prop-2-enylcarbamoyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[2-(prop-2-enylcarbamoyl)phenyl]pyridine-3-carboxamide
PubChem CID18158456
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name6-methyl-N-[2-(prop-2-enylcarbamoyl)phenyl]pyridine-3-carboxamide
SMILESC=CCNC(=O)c1ccccc1NC(=O)c1ccc(C)nc1
InChIInChI=1S/C17H17N3O2/c1-3-10-18-17(22)14-6-4-5-7-15(14)20-16(21)13-9-8-12(2)19-11-13/h3-9,11H,1,10H2,2H3,(H,18,22)(H,20,21)
InChIKeyQAGIMPQKPYVJDK-UHFFFAOYSA-N
XLogP2.56
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[[4-(2-methoxyethoxy)benzoyl]amino]-N-prop-2-enylbenzamide
CID 17353533
N-[2-(prop-2-enylcarbamoyl)phenyl]naphthalene-2-carboxamide
CID 9245587
3-methyl-N-[2-(prop-2-enylcarbamoyl)phenyl]-1,2-oxazole-5-carboxamide
CID 34746741
N-[2-(prop-2-enylcarbamoyl)phenyl]pyrazine-2-carboxamide
CID 18155897
2-[(3-fluorobenzoyl)amino]-N-prop-2-enylbenzamide
CID 6461650
2-[[4-[(carbamoylamino)methyl]benzoyl]amino]-N-prop-2-enylbenzamide
CID 34746020
3-bromo-4-ethoxy-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide
CID 17073804
3,5-dimethyl-N-[2-(prop-2-enylcarbamoyl)phenyl]-1,2-oxazole-4-carboxamide
CID 18158423
N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-6-methylpyridine-3-carboxamide
CID 17491605
2-[(2-methylsulfanylbenzoyl)amino]-N-prop-2-enylbenzamide
CID 2228039
N-[2-(prop-2-enylcarbamoyl)phenyl]naphthalene-1-carboxamide
CID 2174448
2-(butanoylamino)-N-prop-2-enylbenzamide
CID 4932304

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[2-(prop-2-enylcarbamoyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 6-methyl-N-[2-(prop-2-enylcarbamoyl)phenyl]pyridine-3-carboxamide (CID 18158456) is 6-methyl-N-[2-(prop-2-enylcarbamoyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-methyl-N-[2-(prop-2-enylcarbamoyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 6-methyl-N-[2-(prop-2-enylcarbamoyl)phenyl]pyridine-3-carboxamide is C=CCNC(=O)c1ccccc1NC(=O)c1ccc(C)nc1.
What is the InChIKey of 6-methyl-N-[2-(prop-2-enylcarbamoyl)phenyl]pyridine-3-carboxamide?
The InChIKey is QAGIMPQKPYVJDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-3-10-18-17(22)14-6-4-5-7-15(14)20-16(21)13-9-8-12(2)19-11-13/h3-9,11H,1,10H2,2H3,(H,18,22)(H,20,21).
What are the key properties of 6-methyl-N-[2-(prop-2-enylcarbamoyl)phenyl]pyridine-3-carboxamide?
6-methyl-N-[2-(prop-2-enylcarbamoyl)phenyl]pyridine-3-carboxamide has a molecular weight of 295.34 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[2-(prop-2-enylcarbamoyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 18158456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).