5-(4-methylanilino)-N-prop-2-enylpyridine-3-carboxamide

C16H17N3O — CID 109224039

IUPAC5-(4-methylanilino)-N-prop-2-enylpyridine-3-carboxamide
SMILESC=CCNC(=O)c1cncc(Nc2ccc(C)cc2)c1
InChIInChI=1S/C16H17N3O/c1-3-8-18-16(20)13-9-15(11-17-10-13)19-14-6-4-12(2)5-7-14/h3-7,9-11,19H,1,8H2,2H3,(H,18,20)
InChIKeyRIWXCEBUMXFWTF-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.05
Rot. Bonds5

About 5-(4-methylanilino)-N-prop-2-enylpyridine-3-carboxamide

5-(4-methylanilino)-N-prop-2-enylpyridine-3-carboxamide (PubChem CID 109224039) 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-3-carboxamide.

Molecular Properties

Compound Name5-(4-methylanilino)-N-prop-2-enylpyridine-3-carboxamide
PubChem CID109224039
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name5-(4-methylanilino)-N-prop-2-enylpyridine-3-carboxamide
SMILESC=CCNC(=O)c1cncc(Nc2ccc(C)cc2)c1
InChIInChI=1S/C16H17N3O/c1-3-8-18-16(20)13-9-15(11-17-10-13)19-14-6-4-12(2)5-7-14/h3-7,9-11,19H,1,8H2,2H3,(H,18,20)
InChIKeyRIWXCEBUMXFWTF-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-anilino-N-prop-2-enylpyridine-3-carboxamide
CID 109224036
5-[4-(diethylamino)anilino]-N-prop-2-enylpyridine-3-carboxamide
CID 109224099
5-(2-bromo-4-methylanilino)-N-prop-2-enylpyridine-3-carboxamide
CID 109224111
5-(4-ethylanilino)-N-(4-methylphenyl)pyridine-3-carboxamide
CID 109242019
N-benzyl-5-(4-methylanilino)pyridine-3-carboxamide
CID 109231691
5-(4-methylanilino)-N-prop-2-enylpyridine-2-carboxamide
CID 109180319
N-(4-bromophenyl)-5-(4-methylanilino)pyridine-3-carboxamide
CID 109242129
5-[(3-methylphenyl)methylamino]-N-prop-2-enylpyridine-3-carboxamide
CID 109223971
5-(4-methylanilino)-N,N-dipropylpyridine-3-carboxamide
CID 109240921
5-(4-tert-butylanilino)-N-(4-methylphenyl)pyridine-3-carboxamide
CID 109242026
5-(2-propan-2-ylanilino)-N-prop-2-enylpyridine-3-carboxamide
CID 109224053
N-(4-methoxyphenyl)-5-(4-methylanilino)pyridine-3-carboxamide
CID 109242133

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylanilino)-N-prop-2-enylpyridine-3-carboxamide?
The IUPAC name of 5-(4-methylanilino)-N-prop-2-enylpyridine-3-carboxamide (CID 109224039) is 5-(4-methylanilino)-N-prop-2-enylpyridine-3-carboxamide.
What is the SMILES notation for 5-(4-methylanilino)-N-prop-2-enylpyridine-3-carboxamide?
The canonical SMILES for 5-(4-methylanilino)-N-prop-2-enylpyridine-3-carboxamide is C=CCNC(=O)c1cncc(Nc2ccc(C)cc2)c1.
What is the InChIKey of 5-(4-methylanilino)-N-prop-2-enylpyridine-3-carboxamide?
The InChIKey is RIWXCEBUMXFWTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-3-8-18-16(20)13-9-15(11-17-10-13)19-14-6-4-12(2)5-7-14/h3-7,9-11,19H,1,8H2,2H3,(H,18,20).
What are the key properties of 5-(4-methylanilino)-N-prop-2-enylpyridine-3-carboxamide?
5-(4-methylanilino)-N-prop-2-enylpyridine-3-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-3-carboxamide is sourced from PubChem (CID 109224039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).