3-chloro-N-(5-pyrrolidin-1-yl-2-pyridinyl)benzamide

C16H16ClN3O — CID 32947838

IUPAC3-chloro-N-(5-pyrrolidin-1-yl-2-pyridinyl)benzamide
SMILESO=C(Nc1ccc(N2CCCC2)cn1)c1cccc(Cl)c1
InChIInChI=1S/C16H16ClN3O/c17-13-5-3-4-12(10-13)16(21)19-15-7-6-14(11-18-15)20-8-1-2-9-20/h3-7,10-11H,1-2,8-9H2,(H,18,19,21)
InChIKeyCLQRYDFEHLWDRS-UHFFFAOYSA-N
MW301.78 g/mol
LogP3.59
Rot. Bonds3

About 3-chloro-N-(5-pyrrolidin-1-yl-2-pyridinyl)benzamide

3-chloro-N-(5-pyrrolidin-1-yl-2-pyridinyl)benzamide (PubChem CID 32947838) has the molecular formula C16H16ClN3O and a molecular weight of 301.78 g/mol. Its IUPAC name is 3-chloro-N-(5-pyrrolidin-1-yl-2-pyridinyl)benzamide.

Molecular Properties

Compound Name3-chloro-N-(5-pyrrolidin-1-yl-2-pyridinyl)benzamide
PubChem CID32947838
Molecular FormulaC16H16ClN3O
Molecular Weight301.78 g/mol
Exact Mass301.10
IUPAC Name3-chloro-N-(5-pyrrolidin-1-yl-2-pyridinyl)benzamide
SMILESO=C(Nc1ccc(N2CCCC2)cn1)c1cccc(Cl)c1
InChIInChI=1S/C16H16ClN3O/c17-13-5-3-4-12(10-13)16(21)19-15-7-6-14(11-18-15)20-8-1-2-9-20/h3-7,10-11H,1-2,8-9H2,(H,18,19,21)
InChIKeyCLQRYDFEHLWDRS-UHFFFAOYSA-N
XLogP3.59
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.78
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(5-pyrrolidin-1-yl-2-pyridinyl)benzamide?
The IUPAC name of 3-chloro-N-(5-pyrrolidin-1-yl-2-pyridinyl)benzamide (CID 32947838) is 3-chloro-N-(5-pyrrolidin-1-yl-2-pyridinyl)benzamide.
What is the SMILES notation for 3-chloro-N-(5-pyrrolidin-1-yl-2-pyridinyl)benzamide?
The canonical SMILES for 3-chloro-N-(5-pyrrolidin-1-yl-2-pyridinyl)benzamide is O=C(Nc1ccc(N2CCCC2)cn1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-(5-pyrrolidin-1-yl-2-pyridinyl)benzamide?
The InChIKey is CLQRYDFEHLWDRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O/c17-13-5-3-4-12(10-13)16(21)19-15-7-6-14(11-18-15)20-8-1-2-9-20/h3-7,10-11H,1-2,8-9H2,(H,18,19,21).
What are the key properties of 3-chloro-N-(5-pyrrolidin-1-yl-2-pyridinyl)benzamide?
3-chloro-N-(5-pyrrolidin-1-yl-2-pyridinyl)benzamide has a molecular weight of 301.78 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(5-pyrrolidin-1-yl-2-pyridinyl)benzamide is sourced from PubChem (CID 32947838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).