2-amino-N-pyridin-4-ylbenzamide

C12H11N3O — CID 5080262

IUPAC2-amino-N-pyridin-4-ylbenzamide
SMILESNc1ccccc1C(=O)Nc1ccncc1
InChIInChI=1S/C12H11N3O/c13-11-4-2-1-3-10(11)12(16)15-9-5-7-14-8-6-9/h1-8H,13H2,(H,14,15,16)
InChIKeyARCHKMRCNMSPDH-UHFFFAOYSA-N
MW213.24 g/mol
LogP1.92
Rot. Bonds2

About 2-amino-N-pyridin-4-ylbenzamide

2-amino-N-pyridin-4-ylbenzamide (PubChem CID 5080262) has the molecular formula C12H11N3O and a molecular weight of 213.24 g/mol. Its IUPAC name is 2-amino-N-pyridin-4-ylbenzamide.

Molecular Properties

Compound Name2-amino-N-pyridin-4-ylbenzamide
PubChem CID5080262
Molecular FormulaC12H11N3O
Molecular Weight213.24 g/mol
Exact Mass213.09
IUPAC Name2-amino-N-pyridin-4-ylbenzamide
SMILESNc1ccccc1C(=O)Nc1ccncc1
InChIInChI=1S/C12H11N3O/c13-11-4-2-1-3-10(11)12(16)15-9-5-7-14-8-6-9/h1-8H,13H2,(H,14,15,16)
InChIKeyARCHKMRCNMSPDH-UHFFFAOYSA-N
XLogP1.92
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-pyridin-4-yl-2-[2-(pyridin-4-ylcarbamoyl)phenyl]benzamide
CID 23793145
2-amino-N-(2-methyl-4-pyridinyl)benzamide
CID 79235729
2-amino-N-pyrimidin-5-ylbenzamide
CID 107587397
2-amino-N-[2-[[2-(phenylcarbamoyl)phenyl]carbamoyl]phenyl]benzamide
CID 71601154
2-amino-5-chloro-N-pyridin-4-ylbenzamide
CID 16770582
methyl N-[4-[(2-aminobenzoyl)amino]phenyl]carbamate
CID 61213394
2-amino-N-(3-hydroxyphenyl)benzamide
CID 3596059
2-amino-N-(3-carbamoylphenyl)benzamide
CID 43402945
2-amino-N-(3-anilinophenyl)benzamide
CID 155671979
2-amino-N-(3-fluoro-4-pyridinyl)benzamide
CID 107594598
2,5-dibromo-1-N,4-N-dipyridin-4-ylbenzene-1,4-dicarboxamide
CID 35828938
2-amino-N-(4-pyrrol-1-ylphenyl)benzamide
CID 110474388

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-pyridin-4-ylbenzamide?
The IUPAC name of 2-amino-N-pyridin-4-ylbenzamide (CID 5080262) is 2-amino-N-pyridin-4-ylbenzamide.
What is the SMILES notation for 2-amino-N-pyridin-4-ylbenzamide?
The canonical SMILES for 2-amino-N-pyridin-4-ylbenzamide is Nc1ccccc1C(=O)Nc1ccncc1.
What is the InChIKey of 2-amino-N-pyridin-4-ylbenzamide?
The InChIKey is ARCHKMRCNMSPDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O/c13-11-4-2-1-3-10(11)12(16)15-9-5-7-14-8-6-9/h1-8H,13H2,(H,14,15,16).
What are the key properties of 2-amino-N-pyridin-4-ylbenzamide?
2-amino-N-pyridin-4-ylbenzamide has a molecular weight of 213.24 g/mol, XLogP of 1.92, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-pyridin-4-ylbenzamide is sourced from PubChem (CID 5080262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).