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

C16H16ClN3O — CID 166217661

IUPACN-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]benzamide
SMILESO=C(NC1CCN(c2ncccc2Cl)C1)c1ccccc1
InChIInChI=1S/C16H16ClN3O/c17-14-7-4-9-18-15(14)20-10-8-13(11-20)19-16(21)12-5-2-1-3-6-12/h1-7,9,13H,8,10-11H2,(H,19,21)
InChIKeyZPWRRSJKWRTGKV-UHFFFAOYSA-N
MW301.78 g/mol
LogP2.74
Rot. Bonds3

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

N-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]benzamide (PubChem CID 166217661) has the molecular formula C16H16ClN3O and a molecular weight of 301.78 g/mol. Its IUPAC name is N-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]benzamide.

Molecular Properties

Compound NameN-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]benzamide
PubChem CID166217661
Molecular FormulaC16H16ClN3O
Molecular Weight301.78 g/mol
Exact Mass301.10
IUPAC NameN-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]benzamide
SMILESO=C(NC1CCN(c2ncccc2Cl)C1)c1ccccc1
InChIInChI=1S/C16H16ClN3O/c17-14-7-4-9-18-15(14)20-10-8-13(11-20)19-16(21)12-5-2-1-3-6-12/h1-7,9,13H,8,10-11H2,(H,19,21)
InChIKeyZPWRRSJKWRTGKV-UHFFFAOYSA-N
XLogP2.74
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 ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]benzamide?
The IUPAC name of N-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]benzamide (CID 166217661) is N-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]benzamide.
What is the SMILES notation for N-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]benzamide?
The canonical SMILES for N-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]benzamide is O=C(NC1CCN(c2ncccc2Cl)C1)c1ccccc1.
What is the InChIKey of N-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]benzamide?
The InChIKey is ZPWRRSJKWRTGKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O/c17-14-7-4-9-18-15(14)20-10-8-13(11-20)19-16(21)12-5-2-1-3-6-12/h1-7,9,13H,8,10-11H2,(H,19,21).
What are the key properties of N-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]benzamide?
N-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]benzamide has a molecular weight of 301.78 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]benzamide is sourced from PubChem (CID 166217661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).