3,5-diamino-N-(2-pyridin-4-ylethyl)benzamide

C14H16N4O — CID 61104259

IUPAC3,5-diamino-N-(2-pyridin-4-ylethyl)benzamide
SMILESNc1cc(N)cc(C(=O)NCCc2ccncc2)c1
InChIInChI=1S/C14H16N4O/c15-12-7-11(8-13(16)9-12)14(19)18-6-3-10-1-4-17-5-2-10/h1-2,4-5,7-9H,3,6,15-16H2,(H,18,19)
InChIKeyBVAUTMQMBAKPFP-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.22
Rot. Bonds4

About 3,5-diamino-N-(2-pyridin-4-ylethyl)benzamide

3,5-diamino-N-(2-pyridin-4-ylethyl)benzamide (PubChem CID 61104259) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 3,5-diamino-N-(2-pyridin-4-ylethyl)benzamide.

Molecular Properties

Compound Name3,5-diamino-N-(2-pyridin-4-ylethyl)benzamide
PubChem CID61104259
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name3,5-diamino-N-(2-pyridin-4-ylethyl)benzamide
SMILESNc1cc(N)cc(C(=O)NCCc2ccncc2)c1
InChIInChI=1S/C14H16N4O/c15-12-7-11(8-13(16)9-12)14(19)18-6-3-10-1-4-17-5-2-10/h1-2,4-5,7-9H,3,6,15-16H2,(H,18,19)
InChIKeyBVAUTMQMBAKPFP-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

3,5-difluoro-4-hydrazinyl-N-(2-pyridin-4-ylethyl)benzamide
CID 63186092
4-amino-3-fluoro-N-(2-pyridin-4-ylethyl)benzamide
CID 62680036
3,5-difluoro-4-(methylamino)-N-(2-pyridin-4-ylethyl)benzamide
CID 63185327
4-ethyl-N-(2-pyridin-4-ylethyl)benzamide
CID 70990816
4-amino-1-methyl-N-(2-pyridin-4-ylethyl)pyrrole-2-carboxamide
CID 54943729
N-[2-(4-ethylphenyl)ethyl]pyridine-4-carboxamide
CID 110787242
4-amino-N-[2-(4-aminophenyl)ethyl]benzamide
CID 110483115
5-(2-pyridin-4-ylethylcarbamoyl)furan-3-carboxylic acid
CID 104607208
5-amino-2-methoxy-N-(2-pyridin-4-ylethyl)benzamide
CID 61104069
3,5-diamino-N-propylbenzamide
CID 20701636
6-oxo-N-(2-pyridin-4-ylethyl)pyran-3-carboxamide
CID 45497150
3-amino-5-methoxy-N-(pyridin-4-ylmethyl)benzamide
CID 81089949

Frequently Asked Questions

What is the IUPAC name of 3,5-diamino-N-(2-pyridin-4-ylethyl)benzamide?
The IUPAC name of 3,5-diamino-N-(2-pyridin-4-ylethyl)benzamide (CID 61104259) is 3,5-diamino-N-(2-pyridin-4-ylethyl)benzamide.
What is the SMILES notation for 3,5-diamino-N-(2-pyridin-4-ylethyl)benzamide?
The canonical SMILES for 3,5-diamino-N-(2-pyridin-4-ylethyl)benzamide is Nc1cc(N)cc(C(=O)NCCc2ccncc2)c1.
What is the InChIKey of 3,5-diamino-N-(2-pyridin-4-ylethyl)benzamide?
The InChIKey is BVAUTMQMBAKPFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c15-12-7-11(8-13(16)9-12)14(19)18-6-3-10-1-4-17-5-2-10/h1-2,4-5,7-9H,3,6,15-16H2,(H,18,19).
What are the key properties of 3,5-diamino-N-(2-pyridin-4-ylethyl)benzamide?
3,5-diamino-N-(2-pyridin-4-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 3,5-diamino-N-(2-pyridin-4-ylethyl)benzamide is sourced from PubChem (CID 61104259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).