5-[(3-methylphenyl)methylamino]-N-prop-2-enylpyridine-3-carboxamide

C17H19N3O — CID 109223971

IUPAC5-[(3-methylphenyl)methylamino]-N-prop-2-enylpyridine-3-carboxamide
SMILESC=CCNC(=O)c1cncc(NCc2cccc(C)c2)c1
InChIInChI=1S/C17H19N3O/c1-3-7-19-17(21)15-9-16(12-18-11-15)20-10-14-6-4-5-13(2)8-14/h3-6,8-9,11-12,20H,1,7,10H2,2H3,(H,19,21)
InChIKeyGBPADAAXCPXZCA-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.92
Rot. Bonds6

About 5-[(3-methylphenyl)methylamino]-N-prop-2-enylpyridine-3-carboxamide

5-[(3-methylphenyl)methylamino]-N-prop-2-enylpyridine-3-carboxamide (PubChem CID 109223971) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 5-[(3-methylphenyl)methylamino]-N-prop-2-enylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-[(3-methylphenyl)methylamino]-N-prop-2-enylpyridine-3-carboxamide
PubChem CID109223971
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name5-[(3-methylphenyl)methylamino]-N-prop-2-enylpyridine-3-carboxamide
SMILESC=CCNC(=O)c1cncc(NCc2cccc(C)c2)c1
InChIInChI=1S/C17H19N3O/c1-3-7-19-17(21)15-9-16(12-18-11-15)20-10-14-6-4-5-13(2)8-14/h3-6,8-9,11-12,20H,1,7,10H2,2H3,(H,19,21)
InChIKeyGBPADAAXCPXZCA-UHFFFAOYSA-N
XLogP2.92
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.92
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

5-(benzylamino)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide
CID 109231789
N-[(3-methylphenyl)methyl]-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232216
N-(4-methylphenyl)-5-[(3-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232401
N-tert-butyl-5-[(3-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232386
N-(4-bromophenyl)-5-[(3-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232433
5-[(2-chlorophenyl)methylamino]-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide
CID 109232221
5-(4-methylanilino)-N-prop-2-enylpyridine-3-carboxamide
CID 109224039
N-(3-chlorophenyl)-5-[(3-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232423
5-[(2-fluorophenyl)methylamino]-N-prop-2-enylpyridine-3-carboxamide
CID 109223975
5-[(3-methylphenyl)methylamino]-N-(1-phenylethyl)pyridine-3-carboxamide
CID 109232350
5-anilino-N-prop-2-enylpyridine-3-carboxamide
CID 109224036
N-(3,4-dimethoxyphenyl)-5-[(3-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232444

Frequently Asked Questions

What is the IUPAC name of 5-[(3-methylphenyl)methylamino]-N-prop-2-enylpyridine-3-carboxamide?
The IUPAC name of 5-[(3-methylphenyl)methylamino]-N-prop-2-enylpyridine-3-carboxamide (CID 109223971) is 5-[(3-methylphenyl)methylamino]-N-prop-2-enylpyridine-3-carboxamide.
What is the SMILES notation for 5-[(3-methylphenyl)methylamino]-N-prop-2-enylpyridine-3-carboxamide?
The canonical SMILES for 5-[(3-methylphenyl)methylamino]-N-prop-2-enylpyridine-3-carboxamide is C=CCNC(=O)c1cncc(NCc2cccc(C)c2)c1.
What is the InChIKey of 5-[(3-methylphenyl)methylamino]-N-prop-2-enylpyridine-3-carboxamide?
The InChIKey is GBPADAAXCPXZCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-3-7-19-17(21)15-9-16(12-18-11-15)20-10-14-6-4-5-13(2)8-14/h3-6,8-9,11-12,20H,1,7,10H2,2H3,(H,19,21).
What are the key properties of 5-[(3-methylphenyl)methylamino]-N-prop-2-enylpyridine-3-carboxamide?
5-[(3-methylphenyl)methylamino]-N-prop-2-enylpyridine-3-carboxamide has a molecular weight of 281.36 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methylphenyl)methylamino]-N-prop-2-enylpyridine-3-carboxamide is sourced from PubChem (CID 109223971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).