N-[(5Z,6E)-6-(aminomethylidene)-3-(6-methyl-1,2-dihydropyridin-3-yl)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]azetidin-3-amine

C19H24N4 — CID 89085431

IUPACN-[(5Z,6E)-6-(aminomethylidene)-3-(6-methyl-1,2-dihydropyridin-3-yl)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]azetidin-3-amine
SMILESC=C/C=c1/cc(C2=CC=C(C)NC2)cc(NC2CNC2)/c1=C/N
InChIInChI=1S/C19H24N4/c1-3-4-14-7-16(15-6-5-13(2)22-10-15)8-19(18(14)9-20)23-17-11-21-12-17/h3-9,17,21-23H,1,10-12,20H2,2H3/b14-4-,18-9+
InChIKeyHAQPLFTUQBFDIW-DSTLZYOISA-N
MW308.43 g/mol
LogP0.62
Rot. Bonds4

About N-[(5Z,6E)-6-(aminomethylidene)-3-(6-methyl-1,2-dihydropyridin-3-yl)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]azetidin-3-amine

N-[(5Z,6E)-6-(aminomethylidene)-3-(6-methyl-1,2-dihydropyridin-3-yl)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]azetidin-3-amine (PubChem CID 89085431) has the molecular formula C19H24N4 and a molecular weight of 308.43 g/mol. Its IUPAC name is N-[(5Z,6E)-6-(aminomethylidene)-3-(6-methyl-1,2-dihydropyridin-3-yl)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]azetidin-3-amine.

Molecular Properties

Compound NameN-[(5Z,6E)-6-(aminomethylidene)-3-(6-methyl-1,2-dihydropyridin-3-yl)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]azetidin-3-amine
PubChem CID89085431
Molecular FormulaC19H24N4
Molecular Weight308.43 g/mol
Exact Mass308.20
IUPAC NameN-[(5Z,6E)-6-(aminomethylidene)-3-(6-methyl-1,2-dihydropyridin-3-yl)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]azetidin-3-amine
SMILESC=C/C=c1/cc(C2=CC=C(C)NC2)cc(NC2CNC2)/c1=C/N
InChIInChI=1S/C19H24N4/c1-3-4-14-7-16(15-6-5-13(2)22-10-15)8-19(18(14)9-20)23-17-11-21-12-17/h3-9,17,21-23H,1,10-12,20H2,2H3/b14-4-,18-9+
InChIKeyHAQPLFTUQBFDIW-DSTLZYOISA-N
XLogP0.62
TPSA62.11 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 50.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze N-[(5Z,6E)-6-(aminomethylidene)-3-(6-methyl-1,2-dihydropyridin-3-yl)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]azetidin-3-amine 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-[(5Z,6E)-6-(aminomethylidene)-3-(6-methyl-1,2-dihydropyridin-3-yl)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]azetidin-3-amine?
The IUPAC name of N-[(5Z,6E)-6-(aminomethylidene)-3-(6-methyl-1,2-dihydropyridin-3-yl)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]azetidin-3-amine (CID 89085431) is N-[(5Z,6E)-6-(aminomethylidene)-3-(6-methyl-1,2-dihydropyridin-3-yl)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]azetidin-3-amine.
What is the SMILES notation for N-[(5Z,6E)-6-(aminomethylidene)-3-(6-methyl-1,2-dihydropyridin-3-yl)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]azetidin-3-amine?
The canonical SMILES for N-[(5Z,6E)-6-(aminomethylidene)-3-(6-methyl-1,2-dihydropyridin-3-yl)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]azetidin-3-amine is C=C/C=c1/cc(C2=CC=C(C)NC2)cc(NC2CNC2)/c1=C/N.
What is the InChIKey of N-[(5Z,6E)-6-(aminomethylidene)-3-(6-methyl-1,2-dihydropyridin-3-yl)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]azetidin-3-amine?
The InChIKey is HAQPLFTUQBFDIW-DSTLZYOISA-N. The full InChI is InChI=1S/C19H24N4/c1-3-4-14-7-16(15-6-5-13(2)22-10-15)8-19(18(14)9-20)23-17-11-21-12-17/h3-9,17,21-23H,1,10-12,20H2,2H3/b14-4-,18-9+.
What are the key properties of N-[(5Z,6E)-6-(aminomethylidene)-3-(6-methyl-1,2-dihydropyridin-3-yl)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]azetidin-3-amine?
N-[(5Z,6E)-6-(aminomethylidene)-3-(6-methyl-1,2-dihydropyridin-3-yl)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]azetidin-3-amine has a molecular weight of 308.43 g/mol, XLogP of 0.62, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5Z,6E)-6-(aminomethylidene)-3-(6-methyl-1,2-dihydropyridin-3-yl)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]azetidin-3-amine is sourced from PubChem (CID 89085431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).