1-(2-chloro-6-methylpyridine-4-carbonyl)pyrrolidine-2-carboxamide

C12H14ClN3O2 — CID 113378308

IUPAC1-(2-chloro-6-methylpyridine-4-carbonyl)pyrrolidine-2-carboxamide
SMILESCc1cc(C(=O)N2CCCC2C(N)=O)cc(Cl)n1
InChIInChI=1S/C12H14ClN3O2/c1-7-5-8(6-10(13)15-7)12(18)16-4-2-3-9(16)11(14)17/h5-6,9H,2-4H2,1H3,(H2,14,17)
InChIKeyPCGWUUMQELZNHP-UHFFFAOYSA-N
MW267.72 g/mol
LogP1.13
Rot. Bonds2

About 1-(2-chloro-6-methylpyridine-4-carbonyl)pyrrolidine-2-carboxamide

1-(2-chloro-6-methylpyridine-4-carbonyl)pyrrolidine-2-carboxamide (PubChem CID 113378308) has the molecular formula C12H14ClN3O2 and a molecular weight of 267.72 g/mol. Its IUPAC name is 1-(2-chloro-6-methylpyridine-4-carbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(2-chloro-6-methylpyridine-4-carbonyl)pyrrolidine-2-carboxamide
PubChem CID113378308
Molecular FormulaC12H14ClN3O2
Molecular Weight267.72 g/mol
Exact Mass267.08
IUPAC Name1-(2-chloro-6-methylpyridine-4-carbonyl)pyrrolidine-2-carboxamide
SMILESCc1cc(C(=O)N2CCCC2C(N)=O)cc(Cl)n1
InChIInChI=1S/C12H14ClN3O2/c1-7-5-8(6-10(13)15-7)12(18)16-4-2-3-9(16)11(14)17/h5-6,9H,2-4H2,1H3,(H2,14,17)
InChIKeyPCGWUUMQELZNHP-UHFFFAOYSA-N
XLogP1.13
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.72
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-1-(2-chloro-6-methylpyridine-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 114036548
1-(2,6-dichloropyridine-4-carbonyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 60717068
1-(2,6-dichloropyridine-4-carbonyl)-N-methylpyrrolidine-2-carboxamide
CID 61053437
1-(2-chloro-6-methylpyridine-4-carbonyl)-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one
CID 103195179
(2-chloro-6-methyl-4-pyridinyl)-(3-hydroxypiperidin-1-yl)methanone
CID 113378343
1-[4-(3,4-dichlorophenyl)benzoyl]pyrrolidine-2-carboxamide
CID 142087798
(2,6-dichloro-4-pyridinyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 104955470
1-(6-chloropyridine-2-carbonyl)pyrrolidine-2-carboxamide
CID 55052299
(2S)-1-(4-methoxybenzoyl)pyrrolidine-2-carboxamide
CID 110867482
1-(3-bromo-4-methylbenzoyl)pyrrolidine-2-carboxamide
CID 79458993
(2-cyclopentylpyrrolidin-1-yl)-(2,6-dichloro-4-pyridinyl)methanone
CID 61072247
1-[2-(aminomethyl)pyridine-4-carbonyl]pyrrolidine-2-carboxamide
CID 113277721

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-methylpyridine-4-carbonyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(2-chloro-6-methylpyridine-4-carbonyl)pyrrolidine-2-carboxamide (CID 113378308) is 1-(2-chloro-6-methylpyridine-4-carbonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(2-chloro-6-methylpyridine-4-carbonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(2-chloro-6-methylpyridine-4-carbonyl)pyrrolidine-2-carboxamide is Cc1cc(C(=O)N2CCCC2C(N)=O)cc(Cl)n1.
What is the InChIKey of 1-(2-chloro-6-methylpyridine-4-carbonyl)pyrrolidine-2-carboxamide?
The InChIKey is PCGWUUMQELZNHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O2/c1-7-5-8(6-10(13)15-7)12(18)16-4-2-3-9(16)11(14)17/h5-6,9H,2-4H2,1H3,(H2,14,17).
What are the key properties of 1-(2-chloro-6-methylpyridine-4-carbonyl)pyrrolidine-2-carboxamide?
1-(2-chloro-6-methylpyridine-4-carbonyl)pyrrolidine-2-carboxamide has a molecular weight of 267.72 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-methylpyridine-4-carbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 113378308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).