N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-nitroimidazo[1,2-a]pyridin-2-amine

C17H19N5O2 — CID 18095876

IUPACN-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-nitroimidazo[1,2-a]pyridin-2-amine
SMILESCN(C)Cc1ccccc1CNc1nc2ccccn2c1[N+](=O)[O-]
InChIInChI=1S/C17H19N5O2/c1-20(2)12-14-8-4-3-7-13(14)11-18-16-17(22(23)24)21-10-6-5-9-15(21)19-16/h3-10,18H,11-12H2,1-2H3
InChIKeyZVDZRJWDGQDMML-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.92
Rot. Bonds6

About N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-nitroimidazo[1,2-a]pyridin-2-amine

N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-nitroimidazo[1,2-a]pyridin-2-amine (PubChem CID 18095876) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-nitroimidazo[1,2-a]pyridin-2-amine.

Molecular Properties

Compound NameN-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-nitroimidazo[1,2-a]pyridin-2-amine
PubChem CID18095876
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC NameN-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-nitroimidazo[1,2-a]pyridin-2-amine
SMILESCN(C)Cc1ccccc1CNc1nc2ccccn2c1[N+](=O)[O-]
InChIInChI=1S/C17H19N5O2/c1-20(2)12-14-8-4-3-7-13(14)11-18-16-17(22(23)24)21-10-6-5-9-15(21)19-16/h3-10,18H,11-12H2,1-2H3
InChIKeyZVDZRJWDGQDMML-UHFFFAOYSA-N
XLogP2.92
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.92
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'}

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Related Compounds

3-nitro-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]imidazo[1,2-a]pyridin-2-amine
CID 18095865
N-[2-(2-methylphenyl)ethyl]-3-nitroimidazo[1,2-a]pyridin-2-amine
CID 18095557
N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-nitroimidazo[1,2-a]pyridin-2-amine
CID 32877185
2-[[2-(hydroxymethyl)phenyl]methylamino]-3-nitropyrido[1,2-a]pyrimidin-4-one
CID 60563420
N-[(2-fluorophenyl)methyl]-N-methyl-3-nitroimidazo[1,2-a]pyridin-2-amine
CID 18095479
4-[2-[(3-nitroimidazo[1,2-a]pyridin-2-yl)amino]ethyl]phenol
CID 60567803
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
2-[(3-nitroimidazo[1,2-a]pyridin-2-yl)amino]-1-pyrrolidin-1-ylethanone
CID 18142997
N-(2-methyl-1-phenylpropyl)-3-nitroimidazo[1,2-a]pyridin-2-amine
CID 18095899
N-[(1R)-2-methylsulfonyl-1-phenylethyl]-3-nitroimidazo[1,2-a]pyridin-2-amine
CID 97064461

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-nitroimidazo[1,2-a]pyridin-2-amine?
The IUPAC name of N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-nitroimidazo[1,2-a]pyridin-2-amine (CID 18095876) is N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-nitroimidazo[1,2-a]pyridin-2-amine.
What is the SMILES notation for N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-nitroimidazo[1,2-a]pyridin-2-amine?
The canonical SMILES for N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-nitroimidazo[1,2-a]pyridin-2-amine is CN(C)Cc1ccccc1CNc1nc2ccccn2c1[N+](=O)[O-].
What is the InChIKey of N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-nitroimidazo[1,2-a]pyridin-2-amine?
The InChIKey is ZVDZRJWDGQDMML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-20(2)12-14-8-4-3-7-13(14)11-18-16-17(22(23)24)21-10-6-5-9-15(21)19-16/h3-10,18H,11-12H2,1-2H3.
What are the key properties of N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-nitroimidazo[1,2-a]pyridin-2-amine?
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-nitroimidazo[1,2-a]pyridin-2-amine has a molecular weight of 325.37 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-nitroimidazo[1,2-a]pyridin-2-amine is sourced from PubChem (CID 18095876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).