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

C18H19N3 — CID 46702382

IUPACN-methyl-4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]aniline
SMILESCNc1ccc(/C=C2\CCCN=C2c2cccnc2)cc1
InChIInChI=1S/C18H19N3/c1-19-17-8-6-14(7-9-17)12-15-4-3-11-21-18(15)16-5-2-10-20-13-16/h2,5-10,12-13,19H,3-4,11H2,1H3/b15-12+
InChIKeyFDQAMYIHTVCSCT-NTCAYCPXSA-N
MW277.37 g/mol
LogP3.79
Rot. Bonds3

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

N-methyl-4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]aniline (PubChem CID 46702382) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-methyl-4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]aniline.

Molecular Properties

Compound NameN-methyl-4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]aniline
PubChem CID46702382
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC NameN-methyl-4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]aniline
SMILESCNc1ccc(/C=C2\CCCN=C2c2cccnc2)cc1
InChIInChI=1S/C18H19N3/c1-19-17-8-6-14(7-9-17)12-15-4-3-11-21-18(15)16-5-2-10-20-13-16/h2,5-10,12-13,19H,3-4,11H2,1H3/b15-12+
InChIKeyFDQAMYIHTVCSCT-NTCAYCPXSA-N
XLogP3.79
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-methyl-4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]aniline 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-methyl-4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]aniline?
The IUPAC name of N-methyl-4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]aniline (CID 46702382) is N-methyl-4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]aniline.
What is the SMILES notation for N-methyl-4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]aniline?
The canonical SMILES for N-methyl-4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]aniline is CNc1ccc(/C=C2\CCCN=C2c2cccnc2)cc1.
What is the InChIKey of N-methyl-4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]aniline?
The InChIKey is FDQAMYIHTVCSCT-NTCAYCPXSA-N. The full InChI is InChI=1S/C18H19N3/c1-19-17-8-6-14(7-9-17)12-15-4-3-11-21-18(15)16-5-2-10-20-13-16/h2,5-10,12-13,19H,3-4,11H2,1H3/b15-12+.
What are the key properties of N-methyl-4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]aniline?
N-methyl-4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]aniline has a molecular weight of 277.37 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]aniline is sourced from PubChem (CID 46702382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).