N-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-methyl-3-nitroaniline

C15H14N4O2 — CID 60671510

IUPACN-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-methyl-3-nitroaniline
SMILESCc1ccc(NCc2cn3ccccc3n2)cc1[N+](=O)[O-]
InChIInChI=1S/C15H14N4O2/c1-11-5-6-12(8-14(11)19(20)21)16-9-13-10-18-7-3-2-4-15(18)17-13/h2-8,10,16H,9H2,1H3
InChIKeyKNUVKVWTYIRRQK-UHFFFAOYSA-N
MW282.30 g/mol
LogP3.16
Rot. Bonds4

About N-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-methyl-3-nitroaniline

N-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-methyl-3-nitroaniline (PubChem CID 60671510) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is N-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-methyl-3-nitroaniline.

Molecular Properties

Compound NameN-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-methyl-3-nitroaniline
PubChem CID60671510
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC NameN-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-methyl-3-nitroaniline
SMILESCc1ccc(NCc2cn3ccccc3n2)cc1[N+](=O)[O-]
InChIInChI=1S/C15H14N4O2/c1-11-5-6-12(8-14(11)19(20)21)16-9-13-10-18-7-3-2-4-15(18)17-13/h2-8,10,16H,9H2,1H3
InChIKeyKNUVKVWTYIRRQK-UHFFFAOYSA-N
XLogP3.16
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

4-fluoro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-methylaniline
CID 55118825
N-(imidazo[1,2-a]pyridin-2-ylmethyl)naphthalen-2-amine
CID 43400804
4-chloro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-nitroaniline
CID 60631945
2-fluoro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-nitroaniline
CID 36783664
4-chloro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)aniline
CID 2967719
4-fluoro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)aniline
CID 759208
4-(imidazo[1,2-a]pyridin-2-ylmethylamino)-3-nitro-N-propan-2-ylbenzamide
CID 17407046
N-[[2-(aminomethyl)phenyl]methyl]-4-methyl-3-nitroaniline
CID 62950655
3-bromo-N-(imidazo[1,2-a]pyridin-2-ylmethyl)aniline
CID 4701924
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-methylsulfanylaniline
CID 43179471
N-[2-(4-imidazo[1,2-a]pyridin-2-ylanilino)-2-oxoethyl]-4-methyl-3-nitrobenzamide
CID 24598095
N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methyl-8-nitroquinolin-4-amine
CID 133436471

Frequently Asked Questions

What is the IUPAC name of N-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-methyl-3-nitroaniline?
The IUPAC name of N-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-methyl-3-nitroaniline (CID 60671510) is N-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-methyl-3-nitroaniline.
What is the SMILES notation for N-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-methyl-3-nitroaniline?
The canonical SMILES for N-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-methyl-3-nitroaniline is Cc1ccc(NCc2cn3ccccc3n2)cc1[N+](=O)[O-].
What is the InChIKey of N-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-methyl-3-nitroaniline?
The InChIKey is KNUVKVWTYIRRQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c1-11-5-6-12(8-14(11)19(20)21)16-9-13-10-18-7-3-2-4-15(18)17-13/h2-8,10,16H,9H2,1H3.
What are the key properties of N-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-methyl-3-nitroaniline?
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-methyl-3-nitroaniline has a molecular weight of 282.30 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-methyl-3-nitroaniline is sourced from PubChem (CID 60671510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).