(2S)-N-(5-chloro-2-pyridinyl)pyrrolidine-2-carboxamide

C10H12ClN3O — CID 24749623

IUPAC(2S)-N-(5-chloro-2-pyridinyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cn1)[C@@H]1CCCN1
InChIInChI=1S/C10H12ClN3O/c11-7-3-4-9(13-6-7)14-10(15)8-2-1-5-12-8/h3-4,6,8,12H,1-2,5H2,(H,13,14,15)/t8-/m0/s1
InChIKeyZYQYBRUHVASPPK-QMMMGPOBSA-N
MW225.68 g/mol
LogP1.43
Rot. Bonds2

About (2S)-N-(5-chloro-2-pyridinyl)pyrrolidine-2-carboxamide

(2S)-N-(5-chloro-2-pyridinyl)pyrrolidine-2-carboxamide (PubChem CID 24749623) has the molecular formula C10H12ClN3O and a molecular weight of 225.68 g/mol. Its IUPAC name is (2S)-N-(5-chloro-2-pyridinyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(5-chloro-2-pyridinyl)pyrrolidine-2-carboxamide
PubChem CID24749623
Molecular FormulaC10H12ClN3O
Molecular Weight225.68 g/mol
Exact Mass225.07
IUPAC Name(2S)-N-(5-chloro-2-pyridinyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cn1)[C@@H]1CCCN1
InChIInChI=1S/C10H12ClN3O/c11-7-3-4-9(13-6-7)14-10(15)8-2-1-5-12-8/h3-4,6,8,12H,1-2,5H2,(H,13,14,15)/t8-/m0/s1
InChIKeyZYQYBRUHVASPPK-QMMMGPOBSA-N
XLogP1.43
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.68
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chloro-2-pyridinyl)-4-methylpiperidine-2-carboxamide
CID 114422738
N-[6-(cyclopropanecarbonylamino)-3-pyridinyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119879391
N-(5-fluoro-2-pyridinyl)piperidine-2-carboxamide
CID 119839119
N-(6-chloropyridazin-3-yl)pyrrolidine-2-carboxamide
CID 115626531
(2R)-N-(4-chlorophenyl)pyrrolidine-2-carboxamide
CID 7183288
(2R)-N-pyridin-2-ylpyrrolidine-2-carboxamide
CID 103813190
N-(6-chloro-2-pyridinyl)pyrrolidine-2-carboxamide
CID 79946508
N-(5-chloro-2-pyridinyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 76892365
(3S)-N-(5-chloro-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 28893634
(2S)-N-pyridin-2-ylpiperidine-2-carboxamide
CID 103813189
5-chloro-2-(pyrrolidine-2-carbonylamino)benzoic acid
CID 61157828
(2R)-N-(5-chloro-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide;hydrochloride
CID 130763232

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(5-chloro-2-pyridinyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(5-chloro-2-pyridinyl)pyrrolidine-2-carboxamide (CID 24749623) is (2S)-N-(5-chloro-2-pyridinyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(5-chloro-2-pyridinyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(5-chloro-2-pyridinyl)pyrrolidine-2-carboxamide is O=C(Nc1ccc(Cl)cn1)[C@@H]1CCCN1.
What is the InChIKey of (2S)-N-(5-chloro-2-pyridinyl)pyrrolidine-2-carboxamide?
The InChIKey is ZYQYBRUHVASPPK-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H12ClN3O/c11-7-3-4-9(13-6-7)14-10(15)8-2-1-5-12-8/h3-4,6,8,12H,1-2,5H2,(H,13,14,15)/t8-/m0/s1.
What are the key properties of (2S)-N-(5-chloro-2-pyridinyl)pyrrolidine-2-carboxamide?
(2S)-N-(5-chloro-2-pyridinyl)pyrrolidine-2-carboxamide has a molecular weight of 225.68 g/mol, XLogP of 1.43, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(5-chloro-2-pyridinyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 24749623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).