N-(2-nitrophenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide

C13H13N5O3 — CID 79351982

IUPACN-(2-nitrophenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
SMILESO=C(Nc1ccccc1[N+](=O)[O-])C1Cc2nc[nH]c2CN1
InChIInChI=1S/C13H13N5O3/c19-13(10-5-9-11(6-14-10)16-7-15-9)17-8-3-1-2-4-12(8)18(20)21/h1-4,7,10,14H,5-6H2,(H,15,16)(H,17,19)
InChIKeyGJRGZQNENGWPHH-UHFFFAOYSA-N
MW287.28 g/mol
LogP0.97
Rot. Bonds3

About N-(2-nitrophenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide

N-(2-nitrophenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide (PubChem CID 79351982) has the molecular formula C13H13N5O3 and a molecular weight of 287.28 g/mol. Its IUPAC name is N-(2-nitrophenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-(2-nitrophenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
PubChem CID79351982
Molecular FormulaC13H13N5O3
Molecular Weight287.28 g/mol
Exact Mass287.10
IUPAC NameN-(2-nitrophenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
SMILESO=C(Nc1ccccc1[N+](=O)[O-])C1Cc2nc[nH]c2CN1
InChIInChI=1S/C13H13N5O3/c19-13(10-5-9-11(6-14-10)16-7-15-9)17-8-3-1-2-4-12(8)18(20)21/h1-4,7,10,14H,5-6H2,(H,15,16)(H,17,19)
InChIKeyGJRGZQNENGWPHH-UHFFFAOYSA-N
XLogP0.97
TPSA112.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 50.97
H-Bond Donors ≤ 53
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

N-(2,6-dimethylphenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
CID 79353609
N-(2,3,5-trifluorophenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
CID 79352720
N-(2,5-dichloro-4-methylphenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
CID 104727113
N-(5-chloro-2-methoxyphenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
CID 79351709
N-propan-2-yl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
CID 74443132
N-(5-methyl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
CID 79353879
N-(2-hydroxy-1-phenylethyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
CID 79352740
N-(2-phenoxyethyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
CID 79352586
N-(4,5-dimethyl-1H-pyrazol-3-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
CID 104618699
N-[(1S)-1-pyridin-2-ylethyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
CID 81407011
N-[(1R)-1-(2-fluorophenyl)ethyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
CID 81374493
N-[(2-methylpropan-2-yl)oxy]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
CID 82723572

Frequently Asked Questions

What is the IUPAC name of N-(2-nitrophenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide?
The IUPAC name of N-(2-nitrophenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide (CID 79351982) is N-(2-nitrophenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide.
What is the SMILES notation for N-(2-nitrophenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide?
The canonical SMILES for N-(2-nitrophenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide is O=C(Nc1ccccc1[N+](=O)[O-])C1Cc2nc[nH]c2CN1.
What is the InChIKey of N-(2-nitrophenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide?
The InChIKey is GJRGZQNENGWPHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O3/c19-13(10-5-9-11(6-14-10)16-7-15-9)17-8-3-1-2-4-12(8)18(20)21/h1-4,7,10,14H,5-6H2,(H,15,16)(H,17,19).
What are the key properties of N-(2-nitrophenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide?
N-(2-nitrophenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide has a molecular weight of 287.28 g/mol, XLogP of 0.97, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-nitrophenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide is sourced from PubChem (CID 79351982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).