(2S)-1-(3-phenyl-2-pyridinyl)pyrrolidine-2-carboxamide

C16H17N3O — CID 58067491

IUPAC(2S)-1-(3-phenyl-2-pyridinyl)pyrrolidine-2-carboxamide
SMILESNC(=O)[C@@H]1CCCN1c1ncccc1-c1ccccc1
InChIInChI=1S/C16H17N3O/c17-15(20)14-9-5-11-19(14)16-13(8-4-10-18-16)12-6-2-1-3-7-12/h1-4,6-8,10,14H,5,9,11H2,(H2,17,20)/t14-/m0/s1
InChIKeyRGHKOFMZUKNFBE-AWEZNQCLSA-N
MW267.33 g/mol
LogP2.20
Rot. Bonds3

About (2S)-1-(3-phenyl-2-pyridinyl)pyrrolidine-2-carboxamide

(2S)-1-(3-phenyl-2-pyridinyl)pyrrolidine-2-carboxamide (PubChem CID 58067491) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is (2S)-1-(3-phenyl-2-pyridinyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-(3-phenyl-2-pyridinyl)pyrrolidine-2-carboxamide
PubChem CID58067491
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name(2S)-1-(3-phenyl-2-pyridinyl)pyrrolidine-2-carboxamide
SMILESNC(=O)[C@@H]1CCCN1c1ncccc1-c1ccccc1
InChIInChI=1S/C16H17N3O/c17-15(20)14-9-5-11-19(14)16-13(8-4-10-18-16)12-6-2-1-3-7-12/h1-4,6-8,10,14H,5,9,11H2,(H2,17,20)/t14-/m0/s1
InChIKeyRGHKOFMZUKNFBE-AWEZNQCLSA-N
XLogP2.20
TPSA59.22 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 ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(3-phenyl-2-pyridinyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-(3-phenyl-2-pyridinyl)pyrrolidine-2-carboxamide (CID 58067491) is (2S)-1-(3-phenyl-2-pyridinyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-(3-phenyl-2-pyridinyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-(3-phenyl-2-pyridinyl)pyrrolidine-2-carboxamide is NC(=O)[C@@H]1CCCN1c1ncccc1-c1ccccc1.
What is the InChIKey of (2S)-1-(3-phenyl-2-pyridinyl)pyrrolidine-2-carboxamide?
The InChIKey is RGHKOFMZUKNFBE-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H17N3O/c17-15(20)14-9-5-11-19(14)16-13(8-4-10-18-16)12-6-2-1-3-7-12/h1-4,6-8,10,14H,5,9,11H2,(H2,17,20)/t14-/m0/s1.
What are the key properties of (2S)-1-(3-phenyl-2-pyridinyl)pyrrolidine-2-carboxamide?
(2S)-1-(3-phenyl-2-pyridinyl)pyrrolidine-2-carboxamide has a molecular weight of 267.33 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(3-phenyl-2-pyridinyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 58067491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).