N-[[3-(aminomethyl)phenyl]methyl]-3-(benzylamino)-2-cyclohexylimidazo[1,2-a]pyridine-7-carboxamide

C29H33N5O — CID 23731533

IUPACN-[[3-(aminomethyl)phenyl]methyl]-3-(benzylamino)-2-cyclohexylimidazo[1,2-a]pyridine-7-carboxamide
SMILESNCc1cccc(CNC(=O)c2ccn3c(NCc4ccccc4)c(C4CCCCC4)nc3c2)c1
InChIInChI=1S/C29H33N5O/c30-18-22-10-7-11-23(16-22)20-32-29(35)25-14-15-34-26(17-25)33-27(24-12-5-2-6-13-24)28(34)31-19-21-8-3-1-4-9-21/h1,3-4,7-11,14-17,24,31H,2,5-6,12-13,18-20,30H2,(H,32,35)
InChIKeyLJCAMUDBEAVYFX-UHFFFAOYSA-N
MW467.62 g/mol
LogP5.38
Rot. Bonds8

About N-[[3-(aminomethyl)phenyl]methyl]-3-(benzylamino)-2-cyclohexylimidazo[1,2-a]pyridine-7-carboxamide

N-[[3-(aminomethyl)phenyl]methyl]-3-(benzylamino)-2-cyclohexylimidazo[1,2-a]pyridine-7-carboxamide (PubChem CID 23731533) has the molecular formula C29H33N5O and a molecular weight of 467.62 g/mol. Its IUPAC name is N-[[3-(aminomethyl)phenyl]methyl]-3-(benzylamino)-2-cyclohexylimidazo[1,2-a]pyridine-7-carboxamide.

Molecular Properties

Compound NameN-[[3-(aminomethyl)phenyl]methyl]-3-(benzylamino)-2-cyclohexylimidazo[1,2-a]pyridine-7-carboxamide
PubChem CID23731533
Molecular FormulaC29H33N5O
Molecular Weight467.62 g/mol
Exact Mass467.27
IUPAC NameN-[[3-(aminomethyl)phenyl]methyl]-3-(benzylamino)-2-cyclohexylimidazo[1,2-a]pyridine-7-carboxamide
SMILESNCc1cccc(CNC(=O)c2ccn3c(NCc4ccccc4)c(C4CCCCC4)nc3c2)c1
InChIInChI=1S/C29H33N5O/c30-18-22-10-7-11-23(16-22)20-32-29(35)25-14-15-34-26(17-25)33-27(24-12-5-2-6-13-24)28(34)31-19-21-8-3-1-4-9-21/h1,3-4,7-11,14-17,24,31H,2,5-6,12-13,18-20,30H2,(H,32,35)
InChIKeyLJCAMUDBEAVYFX-UHFFFAOYSA-N
XLogP5.38
TPSA84.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.62
LogP ≤ 55.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[[3-(aminomethyl)phenyl]methyl]-3-(benzylamino)-2-cyclohexylimidazo[1,2-a]pyridine-7-carboxamide 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-[[3-(aminomethyl)phenyl]methyl]-3-(benzylamino)-2-cyclohexylimidazo[1,2-a]pyridine-7-carboxamide?
The IUPAC name of N-[[3-(aminomethyl)phenyl]methyl]-3-(benzylamino)-2-cyclohexylimidazo[1,2-a]pyridine-7-carboxamide (CID 23731533) is N-[[3-(aminomethyl)phenyl]methyl]-3-(benzylamino)-2-cyclohexylimidazo[1,2-a]pyridine-7-carboxamide.
What is the SMILES notation for N-[[3-(aminomethyl)phenyl]methyl]-3-(benzylamino)-2-cyclohexylimidazo[1,2-a]pyridine-7-carboxamide?
The canonical SMILES for N-[[3-(aminomethyl)phenyl]methyl]-3-(benzylamino)-2-cyclohexylimidazo[1,2-a]pyridine-7-carboxamide is NCc1cccc(CNC(=O)c2ccn3c(NCc4ccccc4)c(C4CCCCC4)nc3c2)c1.
What is the InChIKey of N-[[3-(aminomethyl)phenyl]methyl]-3-(benzylamino)-2-cyclohexylimidazo[1,2-a]pyridine-7-carboxamide?
The InChIKey is LJCAMUDBEAVYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N5O/c30-18-22-10-7-11-23(16-22)20-32-29(35)25-14-15-34-26(17-25)33-27(24-12-5-2-6-13-24)28(34)31-19-21-8-3-1-4-9-21/h1,3-4,7-11,14-17,24,31H,2,5-6,12-13,18-20,30H2,(H,32,35).
What are the key properties of N-[[3-(aminomethyl)phenyl]methyl]-3-(benzylamino)-2-cyclohexylimidazo[1,2-a]pyridine-7-carboxamide?
N-[[3-(aminomethyl)phenyl]methyl]-3-(benzylamino)-2-cyclohexylimidazo[1,2-a]pyridine-7-carboxamide has a molecular weight of 467.62 g/mol, XLogP of 5.38, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(aminomethyl)phenyl]methyl]-3-(benzylamino)-2-cyclohexylimidazo[1,2-a]pyridine-7-carboxamide is sourced from PubChem (CID 23731533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).