N-(pyridin-3-ylmethyl)-4-(pyrrolidine-1-carbonyl)benzamide

C18H19N3O2 — CID 109044237

IUPACN-(pyridin-3-ylmethyl)-4-(pyrrolidine-1-carbonyl)benzamide
SMILESO=C(NCc1cccnc1)c1ccc(C(=O)N2CCCC2)cc1
InChIInChI=1S/C18H19N3O2/c22-17(20-13-14-4-3-9-19-12-14)15-5-7-16(8-6-15)18(23)21-10-1-2-11-21/h3-9,12H,1-2,10-11,13H2,(H,20,22)
InChIKeyWFKOMCSMLWWJIQ-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.25
Rot. Bonds4

About N-(pyridin-3-ylmethyl)-4-(pyrrolidine-1-carbonyl)benzamide

N-(pyridin-3-ylmethyl)-4-(pyrrolidine-1-carbonyl)benzamide (PubChem CID 109044237) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is N-(pyridin-3-ylmethyl)-4-(pyrrolidine-1-carbonyl)benzamide.

Molecular Properties

Compound NameN-(pyridin-3-ylmethyl)-4-(pyrrolidine-1-carbonyl)benzamide
PubChem CID109044237
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC NameN-(pyridin-3-ylmethyl)-4-(pyrrolidine-1-carbonyl)benzamide
SMILESO=C(NCc1cccnc1)c1ccc(C(=O)N2CCCC2)cc1
InChIInChI=1S/C18H19N3O2/c22-17(20-13-14-4-3-9-19-12-14)15-5-7-16(8-6-15)18(23)21-10-1-2-11-21/h3-9,12H,1-2,10-11,13H2,(H,20,22)
InChIKeyWFKOMCSMLWWJIQ-UHFFFAOYSA-N
XLogP2.25
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(azepane-1-carbonyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 109106016
1-(4-methylbenzoyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 796244
5-(4-acetylpiperazine-1-carbonyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 109104768
2-(azepan-1-yl)-2-oxo-N-(pyridin-3-ylmethyl)acetamide
CID 108506694
3-oxo-N-(pyridin-3-ylmethyl)-3-pyrrolidin-1-ylpropanamide
CID 108941959
4-(aminomethyl)-N-(pyridin-3-ylmethyl)benzamide
CID 28545926
1-(2-pyridin-3-ylethyl)-3-[4-(pyrrolidine-1-carbonyl)phenyl]urea
CID 86988232
N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
CID 110755498
5-piperidin-1-yl-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 109226474
N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide
CID 46466970
N-(pyridin-3-ylmethyl)-1-(pyrrolidine-1-carbonyl)imidazo[1,5-a]pyridine-3-carboxamide
CID 109067927
3-(azepane-1-carbonyl)-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 109070651

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-3-ylmethyl)-4-(pyrrolidine-1-carbonyl)benzamide?
The IUPAC name of N-(pyridin-3-ylmethyl)-4-(pyrrolidine-1-carbonyl)benzamide (CID 109044237) is N-(pyridin-3-ylmethyl)-4-(pyrrolidine-1-carbonyl)benzamide.
What is the SMILES notation for N-(pyridin-3-ylmethyl)-4-(pyrrolidine-1-carbonyl)benzamide?
The canonical SMILES for N-(pyridin-3-ylmethyl)-4-(pyrrolidine-1-carbonyl)benzamide is O=C(NCc1cccnc1)c1ccc(C(=O)N2CCCC2)cc1.
What is the InChIKey of N-(pyridin-3-ylmethyl)-4-(pyrrolidine-1-carbonyl)benzamide?
The InChIKey is WFKOMCSMLWWJIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c22-17(20-13-14-4-3-9-19-12-14)15-5-7-16(8-6-15)18(23)21-10-1-2-11-21/h3-9,12H,1-2,10-11,13H2,(H,20,22).
What are the key properties of N-(pyridin-3-ylmethyl)-4-(pyrrolidine-1-carbonyl)benzamide?
N-(pyridin-3-ylmethyl)-4-(pyrrolidine-1-carbonyl)benzamide has a molecular weight of 309.37 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-3-ylmethyl)-4-(pyrrolidine-1-carbonyl)benzamide is sourced from PubChem (CID 109044237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).