2,4-diamino-N-(2-pyridin-2-ylethyl)benzamide

C14H16N4O — CID 61095096

IUPAC2,4-diamino-N-(2-pyridin-2-ylethyl)benzamide
SMILESNc1ccc(C(=O)NCCc2ccccn2)c(N)c1
InChIInChI=1S/C14H16N4O/c15-10-4-5-12(13(16)9-10)14(19)18-8-6-11-3-1-2-7-17-11/h1-5,7,9H,6,8,15-16H2,(H,18,19)
InChIKeyCQUINGVWLUTEII-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.22
Rot. Bonds4

About 2,4-diamino-N-(2-pyridin-2-ylethyl)benzamide

2,4-diamino-N-(2-pyridin-2-ylethyl)benzamide (PubChem CID 61095096) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 2,4-diamino-N-(2-pyridin-2-ylethyl)benzamide.

Molecular Properties

Compound Name2,4-diamino-N-(2-pyridin-2-ylethyl)benzamide
PubChem CID61095096
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name2,4-diamino-N-(2-pyridin-2-ylethyl)benzamide
SMILESNc1ccc(C(=O)NCCc2ccccn2)c(N)c1
InChIInChI=1S/C14H16N4O/c15-10-4-5-12(13(16)9-10)14(19)18-8-6-11-3-1-2-7-17-11/h1-5,7,9H,6,8,15-16H2,(H,18,19)
InChIKeyCQUINGVWLUTEII-UHFFFAOYSA-N
XLogP1.22
TPSA94.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(2-pyridin-2-ylethyl)benzamide
CID 24704285
2,4-difluoro-N-(2-pyridin-2-ylethyl)benzamide
CID 51164132
2,4-diamino-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 55175798
2-(2-pyridin-2-ylethylcarbamoyl)benzoic acid
CID 43396615
5-amino-N-(2-pyridin-2-ylethyl)-1-benzothiophene-2-carboxamide
CID 61095095
2,5-dichloro-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide
CID 114917187
3-amino-2-nitro-N-(2-pyridin-2-ylethyl)benzamide
CID 115548148
5-chloro-2-hydrazinyl-N-(2-pyridin-2-ylethyl)benzamide
CID 62236376
2-[3-(2-aminophenyl)-1H-pyrazol-5-yl]-N-(2-pyridin-2-ylethyl)benzamide
CID 135138660
2-amino-6-methyl-N-(2-pyridin-2-ylethyl)benzamide
CID 24701596
6-amino-N-(2-pyridin-2-ylethyl)pyridazine-3-carboxamide
CID 62152173
3-(2-aminoethyl)-N-(2-pyridin-2-ylethyl)benzamide
CID 62592960

Frequently Asked Questions

What is the IUPAC name of 2,4-diamino-N-(2-pyridin-2-ylethyl)benzamide?
The IUPAC name of 2,4-diamino-N-(2-pyridin-2-ylethyl)benzamide (CID 61095096) is 2,4-diamino-N-(2-pyridin-2-ylethyl)benzamide.
What is the SMILES notation for 2,4-diamino-N-(2-pyridin-2-ylethyl)benzamide?
The canonical SMILES for 2,4-diamino-N-(2-pyridin-2-ylethyl)benzamide is Nc1ccc(C(=O)NCCc2ccccn2)c(N)c1.
What is the InChIKey of 2,4-diamino-N-(2-pyridin-2-ylethyl)benzamide?
The InChIKey is CQUINGVWLUTEII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c15-10-4-5-12(13(16)9-10)14(19)18-8-6-11-3-1-2-7-17-11/h1-5,7,9H,6,8,15-16H2,(H,18,19).
What are the key properties of 2,4-diamino-N-(2-pyridin-2-ylethyl)benzamide?
2,4-diamino-N-(2-pyridin-2-ylethyl)benzamide has a molecular weight of 256.31 g/mol, XLogP of 1.22, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diamino-N-(2-pyridin-2-ylethyl)benzamide is sourced from PubChem (CID 61095096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).