N-(2-aminophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide

C13H15N5O — CID 89183129

IUPACN-(2-aminophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
SMILESNc1ccccc1NC(=O)N1CCc2nc[nH]c2C1
InChIInChI=1S/C13H15N5O/c14-9-3-1-2-4-10(9)17-13(19)18-6-5-11-12(7-18)16-8-15-11/h1-4,8H,5-7,14H2,(H,15,16)(H,17,19)
InChIKeyYBHRKUQPWQXTTP-UHFFFAOYSA-N
MW257.30 g/mol
LogP1.58
Rot. Bonds1

About N-(2-aminophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide

N-(2-aminophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide (PubChem CID 89183129) has the molecular formula C13H15N5O and a molecular weight of 257.30 g/mol. Its IUPAC name is N-(2-aminophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
PubChem CID89183129
Molecular FormulaC13H15N5O
Molecular Weight257.30 g/mol
Exact Mass257.13
IUPAC NameN-(2-aminophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
SMILESNc1ccccc1NC(=O)N1CCc2nc[nH]c2C1
InChIInChI=1S/C13H15N5O/c14-9-3-1-2-4-10(9)17-13(19)18-6-5-11-12(7-18)16-8-15-11/h1-4,8H,5-7,14H2,(H,15,16)(H,17,19)
InChIKeyYBHRKUQPWQXTTP-UHFFFAOYSA-N
XLogP1.58
TPSA87.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide?
The IUPAC name of N-(2-aminophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide (CID 89183129) is N-(2-aminophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide.
What is the SMILES notation for N-(2-aminophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide?
The canonical SMILES for N-(2-aminophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide is Nc1ccccc1NC(=O)N1CCc2nc[nH]c2C1.
What is the InChIKey of N-(2-aminophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide?
The InChIKey is YBHRKUQPWQXTTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O/c14-9-3-1-2-4-10(9)17-13(19)18-6-5-11-12(7-18)16-8-15-11/h1-4,8H,5-7,14H2,(H,15,16)(H,17,19).
What are the key properties of N-(2-aminophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide?
N-(2-aminophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide has a molecular weight of 257.30 g/mol, XLogP of 1.58, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide is sourced from PubChem (CID 89183129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).