N-(3,4-diamino-2-pyridinyl)benzamide

C12H12N4O — CID 91432821

IUPACN-(3,4-diamino-2-pyridinyl)benzamide
SMILESNc1ccnc(NC(=O)c2ccccc2)c1N
InChIInChI=1S/C12H12N4O/c13-9-6-7-15-11(10(9)14)16-12(17)8-4-2-1-3-5-8/h1-7H,14H2,(H3,13,15,16,17)
InChIKeyFOBAYYAZBGDOFL-UHFFFAOYSA-N
MW228.26 g/mol
LogP1.50
Rot. Bonds2

About N-(3,4-diamino-2-pyridinyl)benzamide

N-(3,4-diamino-2-pyridinyl)benzamide (PubChem CID 91432821) has the molecular formula C12H12N4O and a molecular weight of 228.26 g/mol. Its IUPAC name is N-(3,4-diamino-2-pyridinyl)benzamide.

Molecular Properties

Compound NameN-(3,4-diamino-2-pyridinyl)benzamide
PubChem CID91432821
Molecular FormulaC12H12N4O
Molecular Weight228.26 g/mol
Exact Mass228.10
IUPAC NameN-(3,4-diamino-2-pyridinyl)benzamide
SMILESNc1ccnc(NC(=O)c2ccccc2)c1N
InChIInChI=1S/C12H12N4O/c13-9-6-7-15-11(10(9)14)16-12(17)8-4-2-1-3-5-8/h1-7H,14H2,(H3,13,15,16,17)
InChIKeyFOBAYYAZBGDOFL-UHFFFAOYSA-N
XLogP1.50
TPSA94.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.26
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(hydroxymethyl)-2-pyridinyl]benzamide
CID 82343590
N-pyrimidin-2-ylbenzamide
CID 638481
N-pyrimidin-2-ylbenzamide;silver
CID 175574792
N-(4-methyl-3-nitro-2-pyridinyl)benzamide
CID 4120370
N-(5-amino-2-pyridinyl)benzamide;methane
CID 158297207
N-(5-amino-6-methyl-2-pyridinyl)benzamide
CID 82330924
N-(2,5-diamino-6-methoxypyrimidin-4-yl)benzamide
CID 23829139
N-(6-benzamido-[1,2]thiazolo[5,4-d][1,2]thiazol-3-yl)benzamide
CID 14289002
4-benzamido-1H-imidazole-5-carboxamide
CID 13223230
(4-amino-2-methyl-3-pyridinyl)-phenylmethanone;hydrochloride
CID 174329112
N-[2-[(2-amino-2-oxoethyl)amino]-3-pyridinyl]benzamide
CID 14390486
2-(pyridine-4-carbonylamino)pyridine-3-carboxylic acid
CID 55246558

Frequently Asked Questions

What is the IUPAC name of N-(3,4-diamino-2-pyridinyl)benzamide?
The IUPAC name of N-(3,4-diamino-2-pyridinyl)benzamide (CID 91432821) is N-(3,4-diamino-2-pyridinyl)benzamide.
What is the SMILES notation for N-(3,4-diamino-2-pyridinyl)benzamide?
The canonical SMILES for N-(3,4-diamino-2-pyridinyl)benzamide is Nc1ccnc(NC(=O)c2ccccc2)c1N.
What is the InChIKey of N-(3,4-diamino-2-pyridinyl)benzamide?
The InChIKey is FOBAYYAZBGDOFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O/c13-9-6-7-15-11(10(9)14)16-12(17)8-4-2-1-3-5-8/h1-7H,14H2,(H3,13,15,16,17).
What are the key properties of N-(3,4-diamino-2-pyridinyl)benzamide?
N-(3,4-diamino-2-pyridinyl)benzamide has a molecular weight of 228.26 g/mol, XLogP of 1.50, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-diamino-2-pyridinyl)benzamide is sourced from PubChem (CID 91432821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).