5-anilino-N-prop-2-enylpyridine-3-carboxamide

C15H15N3O — CID 109224036

IUPAC5-anilino-N-prop-2-enylpyridine-3-carboxamide
SMILESC=CCNC(=O)c1cncc(Nc2ccccc2)c1
InChIInChI=1S/C15H15N3O/c1-2-8-17-15(19)12-9-14(11-16-10-12)18-13-6-4-3-5-7-13/h2-7,9-11,18H,1,8H2,(H,17,19)
InChIKeyKQLCZGDUNVECSZ-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.74
Rot. Bonds5

About 5-anilino-N-prop-2-enylpyridine-3-carboxamide

5-anilino-N-prop-2-enylpyridine-3-carboxamide (PubChem CID 109224036) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is 5-anilino-N-prop-2-enylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-anilino-N-prop-2-enylpyridine-3-carboxamide
PubChem CID109224036
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name5-anilino-N-prop-2-enylpyridine-3-carboxamide
SMILESC=CCNC(=O)c1cncc(Nc2ccccc2)c1
InChIInChI=1S/C15H15N3O/c1-2-8-17-15(19)12-9-14(11-16-10-12)18-13-6-4-3-5-7-13/h2-7,9-11,18H,1,8H2,(H,17,19)
InChIKeyKQLCZGDUNVECSZ-UHFFFAOYSA-N
XLogP2.74
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.74
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-methylanilino)-N-prop-2-enylpyridine-3-carboxamide
CID 109224039
5-[4-(diethylamino)anilino]-N-prop-2-enylpyridine-3-carboxamide
CID 109224099
5-(2-propan-2-ylanilino)-N-prop-2-enylpyridine-3-carboxamide
CID 109224053
3-N-(2-phenylethyl)-5-N-prop-2-enylpyridine-3,5-dicarboxamide
CID 109101755
5-[(2-fluorophenyl)methylamino]-N-prop-2-enylpyridine-3-carboxamide
CID 109223975
5-anilino-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 109235531
5-anilino-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109227713
5-(N-benzylanilino)-N-prop-2-enylpyridine-3-carboxamide
CID 109224105
5-(2-bromo-4-methylanilino)-N-prop-2-enylpyridine-3-carboxamide
CID 109224111
5-anilino-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 109234957
5-[(3-methylphenyl)methylamino]-N-prop-2-enylpyridine-3-carboxamide
CID 109223971
5-N-(2-methylphenyl)-3-N-prop-2-enylpyridine-3,5-dicarboxamide
CID 109101805

Frequently Asked Questions

What is the IUPAC name of 5-anilino-N-prop-2-enylpyridine-3-carboxamide?
The IUPAC name of 5-anilino-N-prop-2-enylpyridine-3-carboxamide (CID 109224036) is 5-anilino-N-prop-2-enylpyridine-3-carboxamide.
What is the SMILES notation for 5-anilino-N-prop-2-enylpyridine-3-carboxamide?
The canonical SMILES for 5-anilino-N-prop-2-enylpyridine-3-carboxamide is C=CCNC(=O)c1cncc(Nc2ccccc2)c1.
What is the InChIKey of 5-anilino-N-prop-2-enylpyridine-3-carboxamide?
The InChIKey is KQLCZGDUNVECSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-2-8-17-15(19)12-9-14(11-16-10-12)18-13-6-4-3-5-7-13/h2-7,9-11,18H,1,8H2,(H,17,19).
What are the key properties of 5-anilino-N-prop-2-enylpyridine-3-carboxamide?
5-anilino-N-prop-2-enylpyridine-3-carboxamide has a molecular weight of 253.31 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-anilino-N-prop-2-enylpyridine-3-carboxamide is sourced from PubChem (CID 109224036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).