3-nitro-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]imidazo[1,2-a]pyridin-2-amine

C20H23N5O2 — CID 18095865

IUPAC3-nitro-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]imidazo[1,2-a]pyridin-2-amine
SMILESO=[N+]([O-])c1c(NCc2ccccc2CN2CCCCC2)nc2ccccn12
InChIInChI=1S/C20H23N5O2/c26-25(27)20-19(22-18-10-4-7-13-24(18)20)21-14-16-8-2-3-9-17(16)15-23-11-5-1-6-12-23/h2-4,7-10,13,21H,1,5-6,11-12,14-15H2
InChIKeyJIGIQUKOVTZBBW-UHFFFAOYSA-N
MW365.44 g/mol
LogP3.84
Rot. Bonds6

About 3-nitro-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]imidazo[1,2-a]pyridin-2-amine

3-nitro-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]imidazo[1,2-a]pyridin-2-amine (PubChem CID 18095865) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 3-nitro-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]imidazo[1,2-a]pyridin-2-amine.

Molecular Properties

Compound Name3-nitro-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]imidazo[1,2-a]pyridin-2-amine
PubChem CID18095865
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name3-nitro-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]imidazo[1,2-a]pyridin-2-amine
SMILESO=[N+]([O-])c1c(NCc2ccccc2CN2CCCCC2)nc2ccccn12
InChIInChI=1S/C20H23N5O2/c26-25(27)20-19(22-18-10-4-7-13-24(18)20)21-14-16-8-2-3-9-17(16)15-23-11-5-1-6-12-23/h2-4,7-10,13,21H,1,5-6,11-12,14-15H2
InChIKeyJIGIQUKOVTZBBW-UHFFFAOYSA-N
XLogP3.84
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-nitro-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]imidazo[1,2-a]pyridin-2-amine with MolForge

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

Launch Full Analysis

Related Compounds

N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-nitroimidazo[1,2-a]pyridin-2-amine
CID 18095876
2-[(3-nitroimidazo[1,2-a]pyridin-2-yl)amino]-1-pyrrolidin-1-ylethanone
CID 18142997
N-[2-(2-methylphenyl)ethyl]-3-nitroimidazo[1,2-a]pyridin-2-amine
CID 18095557
2-[[2-(hydroxymethyl)phenyl]methylamino]-3-nitropyrido[1,2-a]pyrimidin-4-one
CID 60563420
5-nitro-N-[(2-piperidin-1-ylphenyl)methyl]imidazo[2,1-b][1,3]thiazol-6-amine
CID 133439615
N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-nitroimidazo[1,2-a]pyridin-2-amine
CID 32877185
4-[2-[(3-nitroimidazo[1,2-a]pyridin-2-yl)amino]ethyl]phenol
CID 60567803
N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-3-nitroimidazo[1,2-a]pyridin-2-amine
CID 47087232
N-[[(3S,8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl]methyl]-3-nitroimidazo[1,2-a]pyridin-2-amine
CID 94795824
N-[(2-ethylphenyl)methyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 64694286
N-(2,3-dihydro-1-benzofuran-3-yl)-3-nitroimidazo[1,2-a]pyridin-2-amine
CID 56800330
N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-nitroimidazo[1,2-a]pyridin-2-amine
CID 56790398

Frequently Asked Questions

What is the IUPAC name of 3-nitro-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]imidazo[1,2-a]pyridin-2-amine?
The IUPAC name of 3-nitro-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]imidazo[1,2-a]pyridin-2-amine (CID 18095865) is 3-nitro-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]imidazo[1,2-a]pyridin-2-amine.
What is the SMILES notation for 3-nitro-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]imidazo[1,2-a]pyridin-2-amine?
The canonical SMILES for 3-nitro-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]imidazo[1,2-a]pyridin-2-amine is O=[N+]([O-])c1c(NCc2ccccc2CN2CCCCC2)nc2ccccn12.
What is the InChIKey of 3-nitro-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]imidazo[1,2-a]pyridin-2-amine?
The InChIKey is JIGIQUKOVTZBBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c26-25(27)20-19(22-18-10-4-7-13-24(18)20)21-14-16-8-2-3-9-17(16)15-23-11-5-1-6-12-23/h2-4,7-10,13,21H,1,5-6,11-12,14-15H2.
What are the key properties of 3-nitro-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]imidazo[1,2-a]pyridin-2-amine?
3-nitro-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]imidazo[1,2-a]pyridin-2-amine has a molecular weight of 365.44 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]imidazo[1,2-a]pyridin-2-amine is sourced from PubChem (CID 18095865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).