(Z)-N-(2,5-dimethylphenyl)-3-pyridin-3-ylprop-2-enamide

C16H16N2O — CID 97376539

IUPAC(Z)-N-(2,5-dimethylphenyl)-3-pyridin-3-ylprop-2-enamide
SMILESCc1ccc(C)c(NC(=O)/C=C\c2cccnc2)c1
InChIInChI=1S/C16H16N2O/c1-12-5-6-13(2)15(10-12)18-16(19)8-7-14-4-3-9-17-11-14/h3-11H,1-2H3,(H,18,19)/b8-7-
InChIKeySLRCJVAINLZRPA-FPLPWBNLSA-N
MW252.32 g/mol
LogP3.35
Rot. Bonds3

About (Z)-N-(2,5-dimethylphenyl)-3-pyridin-3-ylprop-2-enamide

(Z)-N-(2,5-dimethylphenyl)-3-pyridin-3-ylprop-2-enamide (PubChem CID 97376539) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is (Z)-N-(2,5-dimethylphenyl)-3-pyridin-3-ylprop-2-enamide.

Molecular Properties

Compound Name(Z)-N-(2,5-dimethylphenyl)-3-pyridin-3-ylprop-2-enamide
PubChem CID97376539
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name(Z)-N-(2,5-dimethylphenyl)-3-pyridin-3-ylprop-2-enamide
SMILESCc1ccc(C)c(NC(=O)/C=C\c2cccnc2)c1
InChIInChI=1S/C16H16N2O/c1-12-5-6-13(2)15(10-12)18-16(19)8-7-14-4-3-9-17-11-14/h3-11H,1-2H3,(H,18,19)/b8-7-
InChIKeySLRCJVAINLZRPA-FPLPWBNLSA-N
XLogP3.35
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.35
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

N-(3-methylphenyl)-3-pyridin-3-ylprop-2-enamide
CID 71899114
(Z)-N-[5-[(4-fluorophenyl)carbamoylamino]-2-methylphenyl]-3-pyridin-3-ylprop-2-enamide
CID 67494098
3-methyl-4-[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]benzoic acid
CID 43169386
N-(3-fluoro-4-methylphenyl)-4-methyl-3-(3-pyridin-3-ylprop-2-enoylamino)benzamide
CID 67494655
(Z)-N-[5-[(3-chloro-4-fluorophenyl)carbamoylamino]-2-methylphenyl]-3-pyridin-3-ylprop-2-enamide
CID 67494435
N-[4-methyl-3-[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]phenyl]-3,5-bis(trifluoromethyl)benzamide
CID 88558688
2-methyl-5-(3-pyridin-3-ylprop-2-enoylamino)benzoic acid
CID 77003813
N-[2-methyl-5-[[4-(trifluoromethoxy)phenyl]carbamoylamino]phenyl]-3-pyridin-3-ylprop-2-enamide
CID 67494118
(E)-N-(2-ethylphenyl)-3-pyridin-3-ylprop-2-enamide
CID 47148246
N-[2-[[(E)-3-(3-methylphenyl)prop-2-enoyl]amino]phenyl]pyridine-3-carboxamide
CID 108925408
(E)-N-(2-aminophenyl)-3-pyridin-3-ylprop-2-enamide
CID 168818983
N-methyl-3-pyridin-3-ylprop-2-enamide
CID 73116356

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(2,5-dimethylphenyl)-3-pyridin-3-ylprop-2-enamide?
The IUPAC name of (Z)-N-(2,5-dimethylphenyl)-3-pyridin-3-ylprop-2-enamide (CID 97376539) is (Z)-N-(2,5-dimethylphenyl)-3-pyridin-3-ylprop-2-enamide.
What is the SMILES notation for (Z)-N-(2,5-dimethylphenyl)-3-pyridin-3-ylprop-2-enamide?
The canonical SMILES for (Z)-N-(2,5-dimethylphenyl)-3-pyridin-3-ylprop-2-enamide is Cc1ccc(C)c(NC(=O)/C=C\c2cccnc2)c1.
What is the InChIKey of (Z)-N-(2,5-dimethylphenyl)-3-pyridin-3-ylprop-2-enamide?
The InChIKey is SLRCJVAINLZRPA-FPLPWBNLSA-N. The full InChI is InChI=1S/C16H16N2O/c1-12-5-6-13(2)15(10-12)18-16(19)8-7-14-4-3-9-17-11-14/h3-11H,1-2H3,(H,18,19)/b8-7-.
What are the key properties of (Z)-N-(2,5-dimethylphenyl)-3-pyridin-3-ylprop-2-enamide?
(Z)-N-(2,5-dimethylphenyl)-3-pyridin-3-ylprop-2-enamide has a molecular weight of 252.32 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(2,5-dimethylphenyl)-3-pyridin-3-ylprop-2-enamide is sourced from PubChem (CID 97376539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).