N-[7-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-3-nitrobenzamide

C22H18N4O3 — CID 42694070

IUPACN-[7-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-3-nitrobenzamide
SMILESCc1ccc(-c2nc3cc(C)ccn3c2NC(=O)c2cccc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C22H18N4O3/c1-14-6-8-16(9-7-14)20-21(25-11-10-15(2)12-19(25)23-20)24-22(27)17-4-3-5-18(13-17)26(28)29/h3-13H,1-2H3,(H,24,27)
InChIKeyXYMLGJHXWXUJAT-UHFFFAOYSA-N
MW386.41 g/mol
LogP4.78
Rot. Bonds4

About N-[7-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-3-nitrobenzamide

N-[7-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-3-nitrobenzamide (PubChem CID 42694070) has the molecular formula C22H18N4O3 and a molecular weight of 386.41 g/mol. Its IUPAC name is N-[7-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-3-nitrobenzamide.

Molecular Properties

Compound NameN-[7-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-3-nitrobenzamide
PubChem CID42694070
Molecular FormulaC22H18N4O3
Molecular Weight386.41 g/mol
Exact Mass386.14
IUPAC NameN-[7-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-3-nitrobenzamide
SMILESCc1ccc(-c2nc3cc(C)ccn3c2NC(=O)c2cccc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C22H18N4O3/c1-14-6-8-16(9-7-14)20-21(25-11-10-15(2)12-19(25)23-20)24-22(27)17-4-3-5-18(13-17)26(28)29/h3-13H,1-2H3,(H,24,27)
InChIKeyXYMLGJHXWXUJAT-UHFFFAOYSA-N
XLogP4.78
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 54.78
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

3-methoxy-N-[2-(4-methoxyphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]benzamide
CID 4226621
[2-methoxy-4-[7-methyl-3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 3-nitrobenzoate
CID 3928647
(2S)-2-chloro-N-[7-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]propanamide
CID 93016859
N-[7-methyl-2-(2-methylphenyl)imidazo[1,2-a]pyridin-3-yl]benzamide
CID 42881744
N-(7-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)pyridine-2-carboxamide
CID 17417375
ethyl N-[7-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]carbamate
CID 23938620
N'-(4-methylbenzoyl)-3-nitrobenzohydrazide
CID 4506110
N-[1-methyl-5-(4-methylphenyl)imidazol-2-yl]-3-nitrobenzamide
CID 3561615
N-[7-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-2-phenoxyacetamide
CID 42694072
N-(2-aminoethyl)-3-(2,6-dimethylanilino)-2-(4-nitrophenyl)imidazo[1,2-a]pyridine-7-carboxamide
CID 23827163
N-(3,5-dimethylphenyl)-3-nitrobenzamide
CID 710720
N-[2-(3-chlorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-3,5-bis(trifluoromethyl)benzamide
CID 42694362

Frequently Asked Questions

What is the IUPAC name of N-[7-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-3-nitrobenzamide?
The IUPAC name of N-[7-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-3-nitrobenzamide (CID 42694070) is N-[7-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-3-nitrobenzamide.
What is the SMILES notation for N-[7-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-3-nitrobenzamide?
The canonical SMILES for N-[7-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-3-nitrobenzamide is Cc1ccc(-c2nc3cc(C)ccn3c2NC(=O)c2cccc([N+](=O)[O-])c2)cc1.
What is the InChIKey of N-[7-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-3-nitrobenzamide?
The InChIKey is XYMLGJHXWXUJAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O3/c1-14-6-8-16(9-7-14)20-21(25-11-10-15(2)12-19(25)23-20)24-22(27)17-4-3-5-18(13-17)26(28)29/h3-13H,1-2H3,(H,24,27).
What are the key properties of N-[7-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-3-nitrobenzamide?
N-[7-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-3-nitrobenzamide has a molecular weight of 386.41 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-3-nitrobenzamide is sourced from PubChem (CID 42694070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).