N-(2-aminoethyl)-3-(cyclohexylamino)-2-(3-nitrophenyl)imidazo[1,2-a]pyridine-7-carboxamide

C22H26N6O3 — CID 23793763

IUPACN-(2-aminoethyl)-3-(cyclohexylamino)-2-(3-nitrophenyl)imidazo[1,2-a]pyridine-7-carboxamide
SMILESNCCNC(=O)c1ccn2c(NC3CCCCC3)c(-c3cccc([N+](=O)[O-])c3)nc2c1
InChIInChI=1S/C22H26N6O3/c23-10-11-24-22(29)16-9-12-27-19(14-16)26-20(15-5-4-8-18(13-15)28(30)31)21(27)25-17-6-2-1-3-7-17/h4-5,8-9,12-14,17,25H,1-3,6-7,10-11,23H2,(H,24,29)
InChIKeyHFVNTOALMKDKND-UHFFFAOYSA-N
MW422.49 g/mol
LogP3.34
Rot. Bonds7

About N-(2-aminoethyl)-3-(cyclohexylamino)-2-(3-nitrophenyl)imidazo[1,2-a]pyridine-7-carboxamide

N-(2-aminoethyl)-3-(cyclohexylamino)-2-(3-nitrophenyl)imidazo[1,2-a]pyridine-7-carboxamide (PubChem CID 23793763) has the molecular formula C22H26N6O3 and a molecular weight of 422.49 g/mol. Its IUPAC name is N-(2-aminoethyl)-3-(cyclohexylamino)-2-(3-nitrophenyl)imidazo[1,2-a]pyridine-7-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-3-(cyclohexylamino)-2-(3-nitrophenyl)imidazo[1,2-a]pyridine-7-carboxamide
PubChem CID23793763
Molecular FormulaC22H26N6O3
Molecular Weight422.49 g/mol
Exact Mass422.21
IUPAC NameN-(2-aminoethyl)-3-(cyclohexylamino)-2-(3-nitrophenyl)imidazo[1,2-a]pyridine-7-carboxamide
SMILESNCCNC(=O)c1ccn2c(NC3CCCCC3)c(-c3cccc([N+](=O)[O-])c3)nc2c1
InChIInChI=1S/C22H26N6O3/c23-10-11-24-22(29)16-9-12-27-19(14-16)26-20(15-5-4-8-18(13-15)28(30)31)21(27)25-17-6-2-1-3-7-17/h4-5,8-9,12-14,17,25H,1-3,6-7,10-11,23H2,(H,24,29)
InChIKeyHFVNTOALMKDKND-UHFFFAOYSA-N
XLogP3.34
TPSA127.59 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(2-aminoethyl)-3-(cyclohexylamino)-2-(3-nitrophenyl)imidazo[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-(2-aminoethyl)-3-(cyclohexylamino)-2-(3-nitrophenyl)imidazo[1,2-a]pyridine-7-carboxamide?
The IUPAC name of N-(2-aminoethyl)-3-(cyclohexylamino)-2-(3-nitrophenyl)imidazo[1,2-a]pyridine-7-carboxamide (CID 23793763) is N-(2-aminoethyl)-3-(cyclohexylamino)-2-(3-nitrophenyl)imidazo[1,2-a]pyridine-7-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-3-(cyclohexylamino)-2-(3-nitrophenyl)imidazo[1,2-a]pyridine-7-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-3-(cyclohexylamino)-2-(3-nitrophenyl)imidazo[1,2-a]pyridine-7-carboxamide is NCCNC(=O)c1ccn2c(NC3CCCCC3)c(-c3cccc([N+](=O)[O-])c3)nc2c1.
What is the InChIKey of N-(2-aminoethyl)-3-(cyclohexylamino)-2-(3-nitrophenyl)imidazo[1,2-a]pyridine-7-carboxamide?
The InChIKey is HFVNTOALMKDKND-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O3/c23-10-11-24-22(29)16-9-12-27-19(14-16)26-20(15-5-4-8-18(13-15)28(30)31)21(27)25-17-6-2-1-3-7-17/h4-5,8-9,12-14,17,25H,1-3,6-7,10-11,23H2,(H,24,29).
What are the key properties of N-(2-aminoethyl)-3-(cyclohexylamino)-2-(3-nitrophenyl)imidazo[1,2-a]pyridine-7-carboxamide?
N-(2-aminoethyl)-3-(cyclohexylamino)-2-(3-nitrophenyl)imidazo[1,2-a]pyridine-7-carboxamide has a molecular weight of 422.49 g/mol, XLogP of 3.34, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-3-(cyclohexylamino)-2-(3-nitrophenyl)imidazo[1,2-a]pyridine-7-carboxamide is sourced from PubChem (CID 23793763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).