N-(6-chloro-2-pyridinyl)pyrrolidine-2-carboxamide

C10H12ClN3O — CID 79946508

IUPACN-(6-chloro-2-pyridinyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1cccc(Cl)n1)C1CCCN1
InChIInChI=1S/C10H12ClN3O/c11-8-4-1-5-9(13-8)14-10(15)7-3-2-6-12-7/h1,4-5,7,12H,2-3,6H2,(H,13,14,15)
InChIKeyGMYDTJHRHRRPTE-UHFFFAOYSA-N
MW225.68 g/mol
LogP1.43
Rot. Bonds2

About N-(6-chloro-2-pyridinyl)pyrrolidine-2-carboxamide

N-(6-chloro-2-pyridinyl)pyrrolidine-2-carboxamide (PubChem CID 79946508) has the molecular formula C10H12ClN3O and a molecular weight of 225.68 g/mol. Its IUPAC name is N-(6-chloro-2-pyridinyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(6-chloro-2-pyridinyl)pyrrolidine-2-carboxamide
PubChem CID79946508
Molecular FormulaC10H12ClN3O
Molecular Weight225.68 g/mol
Exact Mass225.07
IUPAC NameN-(6-chloro-2-pyridinyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1cccc(Cl)n1)C1CCCN1
InChIInChI=1S/C10H12ClN3O/c11-8-4-1-5-9(13-8)14-10(15)7-3-2-6-12-7/h1,4-5,7,12H,2-3,6H2,(H,13,14,15)
InChIKeyGMYDTJHRHRRPTE-UHFFFAOYSA-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-(6-acetamido-2-pyridinyl)pyrrolidine-2-carboxamide
CID 102178535
N-(6-chloropyridazin-3-yl)pyrrolidine-2-carboxamide
CID 115626531
(2R)-N-pyridin-2-ylpyrrolidine-2-carboxamide
CID 103813190
(2R)-N-pyridazin-3-ylpyrrolidine-2-carboxamide
CID 104901521
(2S)-N-(5-chloro-2-pyridinyl)pyrrolidine-2-carboxamide
CID 24749623
N-(6-chloro-2-pyridinyl)-5-oxopiperazine-2-carboxamide
CID 107437364
(2S)-N-pyridin-2-ylpiperidine-2-carboxamide
CID 103813189
(2R)-N-(4-chlorophenyl)pyrrolidine-2-carboxamide
CID 7183288
N-(1,2-oxazol-3-yl)pyrrolidine-2-carboxamide
CID 62902343
(2R)-N-(2-chloro-6-methylphenyl)pyrrolidine-2-carboxamide
CID 104901241
N-pyridazin-3-ylazepane-2-carboxamide
CID 116786808
N-(2,6-difluorophenyl)pyrrolidine-2-carboxamide
CID 43124050

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-2-pyridinyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-(6-chloro-2-pyridinyl)pyrrolidine-2-carboxamide (CID 79946508) is N-(6-chloro-2-pyridinyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(6-chloro-2-pyridinyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-(6-chloro-2-pyridinyl)pyrrolidine-2-carboxamide is O=C(Nc1cccc(Cl)n1)C1CCCN1.
What is the InChIKey of N-(6-chloro-2-pyridinyl)pyrrolidine-2-carboxamide?
The InChIKey is GMYDTJHRHRRPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O/c11-8-4-1-5-9(13-8)14-10(15)7-3-2-6-12-7/h1,4-5,7,12H,2-3,6H2,(H,13,14,15).
What are the key properties of N-(6-chloro-2-pyridinyl)pyrrolidine-2-carboxamide?
N-(6-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 N-(6-chloro-2-pyridinyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 79946508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).