N-(3-methylphenyl)-3-pyridin-3-ylprop-2-enamide

C15H14N2O — CID 71899114

IUPACN-(3-methylphenyl)-3-pyridin-3-ylprop-2-enamide
SMILESCc1cccc(NC(=O)C=Cc2cccnc2)c1
InChIInChI=1S/C15H14N2O/c1-12-4-2-6-14(10-12)17-15(18)8-7-13-5-3-9-16-11-13/h2-11H,1H3,(H,17,18)
InChIKeyCNUGLBWGCHKTIQ-UHFFFAOYSA-N
MW238.29 g/mol
LogP3.04
Rot. Bonds3

About N-(3-methylphenyl)-3-pyridin-3-ylprop-2-enamide

N-(3-methylphenyl)-3-pyridin-3-ylprop-2-enamide (PubChem CID 71899114) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is N-(3-methylphenyl)-3-pyridin-3-ylprop-2-enamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-3-pyridin-3-ylprop-2-enamide
PubChem CID71899114
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC NameN-(3-methylphenyl)-3-pyridin-3-ylprop-2-enamide
SMILESCc1cccc(NC(=O)C=Cc2cccnc2)c1
InChIInChI=1S/C15H14N2O/c1-12-4-2-6-14(10-12)17-15(18)8-7-13-5-3-9-16-11-13/h2-11H,1H3,(H,17,18)
InChIKeyCNUGLBWGCHKTIQ-UHFFFAOYSA-N
XLogP3.04
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[3-(methylcarbamoylamino)phenyl]-3-pyridin-3-ylprop-2-enamide
CID 38160719
(E)-N-(3-chlorophenyl)-3-pyridin-3-ylprop-2-enamide
CID 47148186
(Z)-N-(2,5-dimethylphenyl)-3-pyridin-3-ylprop-2-enamide
CID 97376539
2-methyl-5-(3-pyridin-3-ylprop-2-enoylamino)benzoic acid
CID 77003813
(E)-3-(3-chlorophenyl)-N-pyridin-3-ylprop-2-enamide
CID 6073794
2-hydroxy-4-[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]benzoic acid
CID 43358291
(Z)-3-(3-methylphenyl)-N-phenylprop-2-enamide
CID 97305777
N-methyl-3-pyridin-3-ylprop-2-enamide
CID 73116356
3-(4-chlorophenyl)-N-(3-methylphenyl)prop-2-enamide
CID 692427
(E)-3-(4-aminophenyl)-N-(3-methylphenyl)prop-2-enamide
CID 84551872
(E)-3-(4-chlorophenyl)-N-(3-methylphenyl)prop-2-enamide
CID 692428
N-[4-[(4-methyl-3-pyridinyl)sulfonyl]phenyl]-3-pyridin-3-ylprop-2-enamide
CID 123684252

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-3-pyridin-3-ylprop-2-enamide?
The IUPAC name of N-(3-methylphenyl)-3-pyridin-3-ylprop-2-enamide (CID 71899114) is N-(3-methylphenyl)-3-pyridin-3-ylprop-2-enamide.
What is the SMILES notation for N-(3-methylphenyl)-3-pyridin-3-ylprop-2-enamide?
The canonical SMILES for N-(3-methylphenyl)-3-pyridin-3-ylprop-2-enamide is Cc1cccc(NC(=O)C=Cc2cccnc2)c1.
What is the InChIKey of N-(3-methylphenyl)-3-pyridin-3-ylprop-2-enamide?
The InChIKey is CNUGLBWGCHKTIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O/c1-12-4-2-6-14(10-12)17-15(18)8-7-13-5-3-9-16-11-13/h2-11H,1H3,(H,17,18).
What are the key properties of N-(3-methylphenyl)-3-pyridin-3-ylprop-2-enamide?
N-(3-methylphenyl)-3-pyridin-3-ylprop-2-enamide has a molecular weight of 238.29 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-3-pyridin-3-ylprop-2-enamide is sourced from PubChem (CID 71899114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).