N-[4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]phenyl]acetamide

C19H19N3O — CID 46702691

IUPACN-[4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(/C=C2\CCCN=C2c2cccnc2)cc1
InChIInChI=1S/C19H19N3O/c1-14(23)22-18-8-6-15(7-9-18)12-16-4-3-11-21-19(16)17-5-2-10-20-13-17/h2,5-10,12-13H,3-4,11H2,1H3,(H,22,23)/b16-12+
InChIKeySTRNCPXZQSLMFA-FOWTUZBSSA-N
MW305.38 g/mol
LogP3.71
Rot. Bonds3

About N-[4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]phenyl]acetamide

N-[4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]phenyl]acetamide (PubChem CID 46702691) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is N-[4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]phenyl]acetamide
PubChem CID46702691
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC NameN-[4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(/C=C2\CCCN=C2c2cccnc2)cc1
InChIInChI=1S/C19H19N3O/c1-14(23)22-18-8-6-15(7-9-18)12-16-4-3-11-21-19(16)17-5-2-10-20-13-17/h2,5-10,12-13H,3-4,11H2,1H3,(H,22,23)/b16-12+
InChIKeySTRNCPXZQSLMFA-FOWTUZBSSA-N
XLogP3.71
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]phenyl]acetamide?
The IUPAC name of N-[4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]phenyl]acetamide (CID 46702691) is N-[4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]phenyl]acetamide is CC(=O)Nc1ccc(/C=C2\CCCN=C2c2cccnc2)cc1.
What is the InChIKey of N-[4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]phenyl]acetamide?
The InChIKey is STRNCPXZQSLMFA-FOWTUZBSSA-N. The full InChI is InChI=1S/C19H19N3O/c1-14(23)22-18-8-6-15(7-9-18)12-16-4-3-11-21-19(16)17-5-2-10-20-13-17/h2,5-10,12-13H,3-4,11H2,1H3,(H,22,23)/b16-12+.
What are the key properties of N-[4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]phenyl]acetamide?
N-[4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]phenyl]acetamide has a molecular weight of 305.38 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]phenyl]acetamide is sourced from PubChem (CID 46702691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).