3-amino-N-(3-cyanophenyl)-2-(pyridin-4-ylmethyl)benzamide

C20H16N4O — CID 174384662

IUPAC3-amino-N-(3-cyanophenyl)-2-(pyridin-4-ylmethyl)benzamide
SMILESN#Cc1cccc(NC(=O)c2cccc(N)c2Cc2ccncc2)c1
InChIInChI=1S/C20H16N4O/c21-13-15-3-1-4-16(11-15)24-20(25)17-5-2-6-19(22)18(17)12-14-7-9-23-10-8-14/h1-11H,12,22H2,(H,24,25)
InChIKeyLPGSTZIKFAJUEC-UHFFFAOYSA-N
MW328.38 g/mol
LogP3.38
Rot. Bonds4

About 3-amino-N-(3-cyanophenyl)-2-(pyridin-4-ylmethyl)benzamide

3-amino-N-(3-cyanophenyl)-2-(pyridin-4-ylmethyl)benzamide (PubChem CID 174384662) has the molecular formula C20H16N4O and a molecular weight of 328.38 g/mol. Its IUPAC name is 3-amino-N-(3-cyanophenyl)-2-(pyridin-4-ylmethyl)benzamide.

Molecular Properties

Compound Name3-amino-N-(3-cyanophenyl)-2-(pyridin-4-ylmethyl)benzamide
PubChem CID174384662
Molecular FormulaC20H16N4O
Molecular Weight328.38 g/mol
Exact Mass328.13
IUPAC Name3-amino-N-(3-cyanophenyl)-2-(pyridin-4-ylmethyl)benzamide
SMILESN#Cc1cccc(NC(=O)c2cccc(N)c2Cc2ccncc2)c1
InChIInChI=1S/C20H16N4O/c21-13-15-3-1-4-16(11-15)24-20(25)17-5-2-6-19(22)18(17)12-14-7-9-23-10-8-14/h1-11H,12,22H2,(H,24,25)
InChIKeyLPGSTZIKFAJUEC-UHFFFAOYSA-N
XLogP3.38
TPSA91.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(3-benzoylphenyl)-2-(pyridin-4-ylmethyl)benzamide
CID 174385428
3-amino-2-(pyridin-4-ylmethyl)-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 174385427
N-(3-cyanophenyl)pyridine-4-carboxamide
CID 734714
2-[2-(3-cyanoanilino)-2-oxoethyl]sulfanyl-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide
CID 112768763
N-(3-cyanophenyl)-2-hydrazinylbenzamide
CID 62248854
3-amino-N-(2-methylsulfinylphenyl)-2-(pyridin-4-ylmethyl)benzamide
CID 174384154
N-(3-cyanophenyl)-2-methoxypyridine-3-carboxamide
CID 55023858
1-(3-cyanophenyl)-3-pyridin-4-ylurea
CID 110706525
N-(3-cyanophenyl)-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109350268
5-amino-2,3-dichloro-N-(3-cyanophenyl)benzamide
CID 107183181
N-(3-cyanophenyl)-2-hydroxy-3-methoxybenzamide
CID 24706951
2-(2-amino-2-oxoethoxy)-N-(3-cyanophenyl)benzamide
CID 34795688

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-cyanophenyl)-2-(pyridin-4-ylmethyl)benzamide?
The IUPAC name of 3-amino-N-(3-cyanophenyl)-2-(pyridin-4-ylmethyl)benzamide (CID 174384662) is 3-amino-N-(3-cyanophenyl)-2-(pyridin-4-ylmethyl)benzamide.
What is the SMILES notation for 3-amino-N-(3-cyanophenyl)-2-(pyridin-4-ylmethyl)benzamide?
The canonical SMILES for 3-amino-N-(3-cyanophenyl)-2-(pyridin-4-ylmethyl)benzamide is N#Cc1cccc(NC(=O)c2cccc(N)c2Cc2ccncc2)c1.
What is the InChIKey of 3-amino-N-(3-cyanophenyl)-2-(pyridin-4-ylmethyl)benzamide?
The InChIKey is LPGSTZIKFAJUEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O/c21-13-15-3-1-4-16(11-15)24-20(25)17-5-2-6-19(22)18(17)12-14-7-9-23-10-8-14/h1-11H,12,22H2,(H,24,25).
What are the key properties of 3-amino-N-(3-cyanophenyl)-2-(pyridin-4-ylmethyl)benzamide?
3-amino-N-(3-cyanophenyl)-2-(pyridin-4-ylmethyl)benzamide has a molecular weight of 328.38 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-cyanophenyl)-2-(pyridin-4-ylmethyl)benzamide is sourced from PubChem (CID 174384662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).