N-(2-aminophenyl)-N-pyridin-2-ylformamide

C12H11N3O — CID 87172715

IUPACN-(2-aminophenyl)-N-pyridin-2-ylformamide
SMILESNc1ccccc1N(C=O)c1ccccn1
InChIInChI=1S/C12H11N3O/c13-10-5-1-2-6-11(10)15(9-16)12-7-3-4-8-14-12/h1-9H,13H2
InChIKeyQMADCHAWLQWTCK-UHFFFAOYSA-N
MW213.24 g/mol
LogP1.96
Rot. Bonds3

About N-(2-aminophenyl)-N-pyridin-2-ylformamide

N-(2-aminophenyl)-N-pyridin-2-ylformamide (PubChem CID 87172715) has the molecular formula C12H11N3O and a molecular weight of 213.24 g/mol. Its IUPAC name is N-(2-aminophenyl)-N-pyridin-2-ylformamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-N-pyridin-2-ylformamide
PubChem CID87172715
Molecular FormulaC12H11N3O
Molecular Weight213.24 g/mol
Exact Mass213.09
IUPAC NameN-(2-aminophenyl)-N-pyridin-2-ylformamide
SMILESNc1ccccc1N(C=O)c1ccccn1
InChIInChI=1S/C12H11N3O/c13-10-5-1-2-6-11(10)15(9-16)12-7-3-4-8-14-12/h1-9H,13H2
InChIKeyQMADCHAWLQWTCK-UHFFFAOYSA-N
XLogP1.96
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-N-pyridin-2-ylformamide?
The IUPAC name of N-(2-aminophenyl)-N-pyridin-2-ylformamide (CID 87172715) is N-(2-aminophenyl)-N-pyridin-2-ylformamide.
What is the SMILES notation for N-(2-aminophenyl)-N-pyridin-2-ylformamide?
The canonical SMILES for N-(2-aminophenyl)-N-pyridin-2-ylformamide is Nc1ccccc1N(C=O)c1ccccn1.
What is the InChIKey of N-(2-aminophenyl)-N-pyridin-2-ylformamide?
The InChIKey is QMADCHAWLQWTCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O/c13-10-5-1-2-6-11(10)15(9-16)12-7-3-4-8-14-12/h1-9H,13H2.
What are the key properties of N-(2-aminophenyl)-N-pyridin-2-ylformamide?
N-(2-aminophenyl)-N-pyridin-2-ylformamide has a molecular weight of 213.24 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-N-pyridin-2-ylformamide is sourced from PubChem (CID 87172715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).