5-(4-methylanilino)-N-prop-2-enylpyridine-2-carboxamide

C16H17N3O — CID 109180319

IUPAC5-(4-methylanilino)-N-prop-2-enylpyridine-2-carboxamide
SMILESC=CCNC(=O)c1ccc(Nc2ccc(C)cc2)cn1
InChIInChI=1S/C16H17N3O/c1-3-10-17-16(20)15-9-8-14(11-18-15)19-13-6-4-12(2)5-7-13/h3-9,11,19H,1,10H2,2H3,(H,17,20)
InChIKeyIXJVDRWYYIJRJV-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.05
Rot. Bonds5

About 5-(4-methylanilino)-N-prop-2-enylpyridine-2-carboxamide

5-(4-methylanilino)-N-prop-2-enylpyridine-2-carboxamide (PubChem CID 109180319) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 5-(4-methylanilino)-N-prop-2-enylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-(4-methylanilino)-N-prop-2-enylpyridine-2-carboxamide
PubChem CID109180319
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name5-(4-methylanilino)-N-prop-2-enylpyridine-2-carboxamide
SMILESC=CCNC(=O)c1ccc(Nc2ccc(C)cc2)cn1
InChIInChI=1S/C16H17N3O/c1-3-10-17-16(20)15-9-8-14(11-18-15)19-13-6-4-12(2)5-7-13/h3-9,11,19H,1,10H2,2H3,(H,17,20)
InChIKeyIXJVDRWYYIJRJV-UHFFFAOYSA-N
XLogP3.05
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.05
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-(4-acetamidoanilino)-N-prop-2-enylpyridine-2-carboxamide
CID 109180372
5-(3,5-dichloroanilino)-N-prop-2-enylpyridine-2-carboxamide
CID 109180409
N-(2-methoxyethyl)-5-(4-methylanilino)pyridine-2-carboxamide
CID 109183906
5-(4-methylanilino)-N-prop-2-enylpyridine-3-carboxamide
CID 109224039
2-N,5-N-bis(prop-2-enyl)pyridine-2,5-dicarboxamide
CID 4069560
5-(4-chloro-2-methoxy-5-methylanilino)-N-prop-2-enylpyridine-2-carboxamide
CID 109180413
5-(cyclopentylamino)-N-prop-2-enylpyridine-2-carboxamide
CID 109180232
5-(4-acetylanilino)-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide
CID 109188694
5-(4-methylanilino)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide
CID 109188420
methyl 6-(prop-2-enylcarbamoyl)pyridine-3-carboxylate
CID 31824869
5-(4-acetylanilino)-N-prop-2-enylpyrazine-2-carboxamide
CID 109272088
5-[(2-methoxyphenyl)methylamino]-N-prop-2-enylpyridine-2-carboxamide
CID 109180259

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylanilino)-N-prop-2-enylpyridine-2-carboxamide?
The IUPAC name of 5-(4-methylanilino)-N-prop-2-enylpyridine-2-carboxamide (CID 109180319) is 5-(4-methylanilino)-N-prop-2-enylpyridine-2-carboxamide.
What is the SMILES notation for 5-(4-methylanilino)-N-prop-2-enylpyridine-2-carboxamide?
The canonical SMILES for 5-(4-methylanilino)-N-prop-2-enylpyridine-2-carboxamide is C=CCNC(=O)c1ccc(Nc2ccc(C)cc2)cn1.
What is the InChIKey of 5-(4-methylanilino)-N-prop-2-enylpyridine-2-carboxamide?
The InChIKey is IXJVDRWYYIJRJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-3-10-17-16(20)15-9-8-14(11-18-15)19-13-6-4-12(2)5-7-13/h3-9,11,19H,1,10H2,2H3,(H,17,20).
What are the key properties of 5-(4-methylanilino)-N-prop-2-enylpyridine-2-carboxamide?
5-(4-methylanilino)-N-prop-2-enylpyridine-2-carboxamide has a molecular weight of 267.33 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylanilino)-N-prop-2-enylpyridine-2-carboxamide is sourced from PubChem (CID 109180319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).