N-(pyridin-2-ylmethyl)-2-pyrrol-1-ylbenzamide

C17H15N3O — CID 39047420

IUPACN-(pyridin-2-ylmethyl)-2-pyrrol-1-ylbenzamide
SMILESO=C(NCc1ccccn1)c1ccccc1-n1cccc1
InChIInChI=1S/C17H15N3O/c21-17(19-13-14-7-3-4-10-18-14)15-8-1-2-9-16(15)20-11-5-6-12-20/h1-12H,13H2,(H,19,21)
InChIKeyWRDHGYNZFKNCGO-UHFFFAOYSA-N
MW277.33 g/mol
LogP2.80
Rot. Bonds4

About N-(pyridin-2-ylmethyl)-2-pyrrol-1-ylbenzamide

N-(pyridin-2-ylmethyl)-2-pyrrol-1-ylbenzamide (PubChem CID 39047420) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is N-(pyridin-2-ylmethyl)-2-pyrrol-1-ylbenzamide.

Molecular Properties

Compound NameN-(pyridin-2-ylmethyl)-2-pyrrol-1-ylbenzamide
PubChem CID39047420
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC NameN-(pyridin-2-ylmethyl)-2-pyrrol-1-ylbenzamide
SMILESO=C(NCc1ccccn1)c1ccccc1-n1cccc1
InChIInChI=1S/C17H15N3O/c21-17(19-13-14-7-3-4-10-18-14)15-8-1-2-9-16(15)20-11-5-6-12-20/h1-12H,13H2,(H,19,21)
InChIKeyWRDHGYNZFKNCGO-UHFFFAOYSA-N
XLogP2.80
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(pyridin-2-ylmethyl)-2-pyrrol-1-ylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1,3-dioxoisoindol-2-yl)-N-(pyridin-2-ylmethyl)benzamide
CID 168517912
2-[4-(aminomethyl)imidazol-1-yl]-N-(pyridin-2-ylmethyl)benzamide
CID 110121856
2-[4-[(dimethylamino)methyl]imidazol-1-yl]-N-(pyridin-2-ylmethyl)benzamide
CID 110121857
N-[(4-methylphenyl)methyl]-2-pyrrol-1-ylbenzamide
CID 22567008
2,3-dichloro-N-(pyridin-2-ylmethyl)benzamide
CID 1247422
2-acetamido-N-(pyridin-2-ylmethyl)benzamide
CID 783556
2-(ethylamino)-N-(pyridin-2-ylmethyl)benzamide
CID 62167465
1,3-dimethyl-2,4-dioxo-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide
CID 84557714
N-(pyridin-2-ylmethyl)-2-[3-[2-(pyridin-2-ylmethylcarbamoyl)phenoxy]-2,2-bis[[2-(pyridin-2-ylmethylcarbamoyl)phenoxy]methyl]propoxy]benzamide
CID 102035338
2-bromo-3-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 113338677
N-(pyridin-2-ylmethyl)-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 18167697
2-amino-3-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 16787973

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-2-ylmethyl)-2-pyrrol-1-ylbenzamide?
The IUPAC name of N-(pyridin-2-ylmethyl)-2-pyrrol-1-ylbenzamide (CID 39047420) is N-(pyridin-2-ylmethyl)-2-pyrrol-1-ylbenzamide.
What is the SMILES notation for N-(pyridin-2-ylmethyl)-2-pyrrol-1-ylbenzamide?
The canonical SMILES for N-(pyridin-2-ylmethyl)-2-pyrrol-1-ylbenzamide is O=C(NCc1ccccn1)c1ccccc1-n1cccc1.
What is the InChIKey of N-(pyridin-2-ylmethyl)-2-pyrrol-1-ylbenzamide?
The InChIKey is WRDHGYNZFKNCGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O/c21-17(19-13-14-7-3-4-10-18-14)15-8-1-2-9-16(15)20-11-5-6-12-20/h1-12H,13H2,(H,19,21).
What are the key properties of N-(pyridin-2-ylmethyl)-2-pyrrol-1-ylbenzamide?
N-(pyridin-2-ylmethyl)-2-pyrrol-1-ylbenzamide has a molecular weight of 277.33 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-2-ylmethyl)-2-pyrrol-1-ylbenzamide is sourced from PubChem (CID 39047420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).