2-pyridin-3-yl-N-pyrrolidin-1-ylbenzamide

C16H17N3O — CID 173109803

IUPAC2-pyridin-3-yl-N-pyrrolidin-1-ylbenzamide
SMILESO=C(NN1CCCC1)c1ccccc1-c1cccnc1
InChIInChI=1S/C16H17N3O/c20-16(18-19-10-3-4-11-19)15-8-2-1-7-14(15)13-6-5-9-17-12-13/h1-2,5-9,12H,3-4,10-11H2,(H,18,20)
InChIKeyVZOCYJNXQMGYDI-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.49
Rot. Bonds3

About 2-pyridin-3-yl-N-pyrrolidin-1-ylbenzamide

2-pyridin-3-yl-N-pyrrolidin-1-ylbenzamide (PubChem CID 173109803) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-pyridin-3-yl-N-pyrrolidin-1-ylbenzamide.

Molecular Properties

Compound Name2-pyridin-3-yl-N-pyrrolidin-1-ylbenzamide
PubChem CID173109803
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name2-pyridin-3-yl-N-pyrrolidin-1-ylbenzamide
SMILESO=C(NN1CCCC1)c1ccccc1-c1cccnc1
InChIInChI=1S/C16H17N3O/c20-16(18-19-10-3-4-11-19)15-8-2-1-7-14(15)13-6-5-9-17-12-13/h1-2,5-9,12H,3-4,10-11H2,(H,18,20)
InChIKeyVZOCYJNXQMGYDI-UHFFFAOYSA-N
XLogP2.49
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-piperidin-1-yl-2-pyridin-3-ylbenzamide
CID 173109627
bis(2-pyridin-3-ylphenyl)methanone
CID 70483268
3-hydrazinyl-N-piperidin-1-ylpyridine-4-carboxamide
CID 105072407
2-pyridin-3-yl-N-[1-[2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethyl]cyclohexyl]benzamide
CID 68886474
N-piperidin-1-ylbenzo[e]azulene-3-carboxamide
CID 69039955
2-[2-(piperidin-1-ylcarbamoyl)phenyl]acetic acid
CID 114199832
6-chloro-N-morpholin-4-yl-2-pyridin-3-ylquinoline-4-carboxamide
CID 1261356
N-pyrrolidin-1-ylpyridine-2-carboxamide
CID 19710906
2-amino-2-(2-pyridin-3-ylphenyl)-1-pyrrolidin-1-ylethanone
CID 173109865
3-(ethylamino)-N-piperidin-1-ylpyridine-4-carboxamide
CID 105070981
2-pyridin-2-yl-3-pyridin-3-ylbenzoic acid
CID 68921390
2-chloro-3-pyridin-3-ylbenzoic acid
CID 46317024

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-yl-N-pyrrolidin-1-ylbenzamide?
The IUPAC name of 2-pyridin-3-yl-N-pyrrolidin-1-ylbenzamide (CID 173109803) is 2-pyridin-3-yl-N-pyrrolidin-1-ylbenzamide.
What is the SMILES notation for 2-pyridin-3-yl-N-pyrrolidin-1-ylbenzamide?
The canonical SMILES for 2-pyridin-3-yl-N-pyrrolidin-1-ylbenzamide is O=C(NN1CCCC1)c1ccccc1-c1cccnc1.
What is the InChIKey of 2-pyridin-3-yl-N-pyrrolidin-1-ylbenzamide?
The InChIKey is VZOCYJNXQMGYDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c20-16(18-19-10-3-4-11-19)15-8-2-1-7-14(15)13-6-5-9-17-12-13/h1-2,5-9,12H,3-4,10-11H2,(H,18,20).
What are the key properties of 2-pyridin-3-yl-N-pyrrolidin-1-ylbenzamide?
2-pyridin-3-yl-N-pyrrolidin-1-ylbenzamide has a molecular weight of 267.33 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-yl-N-pyrrolidin-1-ylbenzamide is sourced from PubChem (CID 173109803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).