(E)-3-(3-aminophenyl)-N-(6-methyl-2-pyridinyl)prop-2-enamide

C15H15N3O — CID 115342702

IUPAC(E)-3-(3-aminophenyl)-N-(6-methyl-2-pyridinyl)prop-2-enamide
SMILESCc1cccc(NC(=O)/C=C/c2cccc(N)c2)n1
InChIInChI=1S/C15H15N3O/c1-11-4-2-7-14(17-11)18-15(19)9-8-12-5-3-6-13(16)10-12/h2-10H,16H2,1H3,(H,17,18,19)/b9-8+
InChIKeyNNSNTKHEOJJTFY-CMDGGOBGSA-N
MW253.31 g/mol
LogP2.62
Rot. Bonds3

About (E)-3-(3-aminophenyl)-N-(6-methyl-2-pyridinyl)prop-2-enamide

(E)-3-(3-aminophenyl)-N-(6-methyl-2-pyridinyl)prop-2-enamide (PubChem CID 115342702) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is (E)-3-(3-aminophenyl)-N-(6-methyl-2-pyridinyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-aminophenyl)-N-(6-methyl-2-pyridinyl)prop-2-enamide
PubChem CID115342702
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name(E)-3-(3-aminophenyl)-N-(6-methyl-2-pyridinyl)prop-2-enamide
SMILESCc1cccc(NC(=O)/C=C/c2cccc(N)c2)n1
InChIInChI=1S/C15H15N3O/c1-11-4-2-7-14(17-11)18-15(19)9-8-12-5-3-6-13(16)10-12/h2-10H,16H2,1H3,(H,17,18,19)/b9-8+
InChIKeyNNSNTKHEOJJTFY-CMDGGOBGSA-N
XLogP2.62
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(6-methyl-2-pyridinyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 5059127
(E)-3-(3-aminophenyl)-N-(5-fluoro-2-pyridinyl)prop-2-enamide
CID 115344407
(E)-N-(6-methyl-2-pyridinyl)-3-[4-[4-[(E)-3-[(6-methyl-2-pyridinyl)amino]-3-oxoprop-1-enyl]-2-(trifluoromethyl)phenyl]sulfanyl-3-(trifluoromethyl)phenyl]prop-2-enamide
CID 142650934
(E)-3-(2,6-difluorophenyl)-N-(6-methyl-2-pyridinyl)prop-2-enamide
CID 60555034
N-(4,6-dimethyl-2-pyridinyl)-3-phenylprop-2-enamide
CID 3439581
(E)-3-(3-aminophenyl)-N-(2-tert-butylphenyl)prop-2-enamide
CID 39403849
(Z)-3-phenyl-N-[6-[[(Z)-3-phenylprop-2-enoyl]amino]-2-pyridinyl]prop-2-enamide
CID 92904671
(E)-3-(3-aminophenyl)-N-(4-hydroxy-3-methylphenyl)prop-2-enamide
CID 115344816
(E)-3-(3-aminophenyl)-N-(4-hydroxy-2,5-dimethylphenyl)prop-2-enamide
CID 106954289
(E)-3-(3-aminophenyl)-N-(3-bromo-2-methylphenyl)prop-2-enamide
CID 107625190
N-(6-methyl-2-pyridinyl)-3-thiophen-2-ylprop-2-enamide
CID 903281
(E)-3-(3-aminophenyl)-N-ethylprop-2-enamide
CID 39238221

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-aminophenyl)-N-(6-methyl-2-pyridinyl)prop-2-enamide?
The IUPAC name of (E)-3-(3-aminophenyl)-N-(6-methyl-2-pyridinyl)prop-2-enamide (CID 115342702) is (E)-3-(3-aminophenyl)-N-(6-methyl-2-pyridinyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(3-aminophenyl)-N-(6-methyl-2-pyridinyl)prop-2-enamide?
The canonical SMILES for (E)-3-(3-aminophenyl)-N-(6-methyl-2-pyridinyl)prop-2-enamide is Cc1cccc(NC(=O)/C=C/c2cccc(N)c2)n1.
What is the InChIKey of (E)-3-(3-aminophenyl)-N-(6-methyl-2-pyridinyl)prop-2-enamide?
The InChIKey is NNSNTKHEOJJTFY-CMDGGOBGSA-N. The full InChI is InChI=1S/C15H15N3O/c1-11-4-2-7-14(17-11)18-15(19)9-8-12-5-3-6-13(16)10-12/h2-10H,16H2,1H3,(H,17,18,19)/b9-8+.
What are the key properties of (E)-3-(3-aminophenyl)-N-(6-methyl-2-pyridinyl)prop-2-enamide?
(E)-3-(3-aminophenyl)-N-(6-methyl-2-pyridinyl)prop-2-enamide has a molecular weight of 253.31 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-aminophenyl)-N-(6-methyl-2-pyridinyl)prop-2-enamide is sourced from PubChem (CID 115342702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).