1-benzyl-N-(4-methyl-3-nitrophenyl)imidazo[4,5-b]pyridin-2-amine

C20H17N5O2 — CID 70697456

IUPAC1-benzyl-N-(4-methyl-3-nitrophenyl)imidazo[4,5-b]pyridin-2-amine
SMILESCc1ccc(Nc2nc3ncccc3n2Cc2ccccc2)cc1[N+](=O)[O-]
InChIInChI=1S/C20H17N5O2/c1-14-9-10-16(12-18(14)25(26)27)22-20-23-19-17(8-5-11-21-19)24(20)13-15-6-3-2-4-7-15/h2-12H,13H2,1H3,(H,21,22,23)
InChIKeyPNOQJJSOSXGRIT-UHFFFAOYSA-N
MW359.39 g/mol
LogP4.44
Rot. Bonds5

About 1-benzyl-N-(4-methyl-3-nitrophenyl)imidazo[4,5-b]pyridin-2-amine

1-benzyl-N-(4-methyl-3-nitrophenyl)imidazo[4,5-b]pyridin-2-amine (PubChem CID 70697456) has the molecular formula C20H17N5O2 and a molecular weight of 359.39 g/mol. Its IUPAC name is 1-benzyl-N-(4-methyl-3-nitrophenyl)imidazo[4,5-b]pyridin-2-amine.

Molecular Properties

Compound Name1-benzyl-N-(4-methyl-3-nitrophenyl)imidazo[4,5-b]pyridin-2-amine
PubChem CID70697456
Molecular FormulaC20H17N5O2
Molecular Weight359.39 g/mol
Exact Mass359.14
IUPAC Name1-benzyl-N-(4-methyl-3-nitrophenyl)imidazo[4,5-b]pyridin-2-amine
SMILESCc1ccc(Nc2nc3ncccc3n2Cc2ccccc2)cc1[N+](=O)[O-]
InChIInChI=1S/C20H17N5O2/c1-14-9-10-16(12-18(14)25(26)27)22-20-23-19-17(8-5-11-21-19)24(20)13-15-6-3-2-4-7-15/h2-12H,13H2,1H3,(H,21,22,23)
InChIKeyPNOQJJSOSXGRIT-UHFFFAOYSA-N
XLogP4.44
TPSA85.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 54.44
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

4-[(1-benzylimidazo[4,5-b]pyridin-2-yl)amino]phenol
CID 70687050
1-benzyl-2-methylimidazo[4,5-b]pyridine
CID 151866013
1-[(4-methyl-3-nitrophenyl)methyl]-3-propan-2-yl-6-(4-propan-2-yloxyanilino)-1,3,5-triazine-2,4-dione
CID 134140164
N-[(2-methoxy-3-pyridinyl)methyl]-4-methyl-3-nitroaniline
CID 62912632
4-methyl-N-(4-methyl-3-nitrophenyl)acridin-9-amine
CID 71375707
1-benzyl-N-(4-methyl-3-nitrophenyl)pyrrolidine-2-carboxamide
CID 60586090
1-(4-methyl-3-nitrophenyl)-3-pyrimidin-2-ylurea
CID 5072186
N-(3-methyl-4-nitrophenyl)pyrimidin-2-amine
CID 125475479
N-(4-methyl-3-nitrophenyl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide
CID 34727808
4-(3-benzyl-2-methyl-7-nitrobenzimidazol-5-yl)morpholine
CID 66976692
2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(4-methyl-3-nitrophenyl)acetamide
CID 25299288
4-methyl-N-(2-methyl-2-phenylpropyl)-3-nitroaniline
CID 63540997

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(4-methyl-3-nitrophenyl)imidazo[4,5-b]pyridin-2-amine?
The IUPAC name of 1-benzyl-N-(4-methyl-3-nitrophenyl)imidazo[4,5-b]pyridin-2-amine (CID 70697456) is 1-benzyl-N-(4-methyl-3-nitrophenyl)imidazo[4,5-b]pyridin-2-amine.
What is the SMILES notation for 1-benzyl-N-(4-methyl-3-nitrophenyl)imidazo[4,5-b]pyridin-2-amine?
The canonical SMILES for 1-benzyl-N-(4-methyl-3-nitrophenyl)imidazo[4,5-b]pyridin-2-amine is Cc1ccc(Nc2nc3ncccc3n2Cc2ccccc2)cc1[N+](=O)[O-].
What is the InChIKey of 1-benzyl-N-(4-methyl-3-nitrophenyl)imidazo[4,5-b]pyridin-2-amine?
The InChIKey is PNOQJJSOSXGRIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O2/c1-14-9-10-16(12-18(14)25(26)27)22-20-23-19-17(8-5-11-21-19)24(20)13-15-6-3-2-4-7-15/h2-12H,13H2,1H3,(H,21,22,23).
What are the key properties of 1-benzyl-N-(4-methyl-3-nitrophenyl)imidazo[4,5-b]pyridin-2-amine?
1-benzyl-N-(4-methyl-3-nitrophenyl)imidazo[4,5-b]pyridin-2-amine has a molecular weight of 359.39 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(4-methyl-3-nitrophenyl)imidazo[4,5-b]pyridin-2-amine is sourced from PubChem (CID 70697456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).