1-(5-chloro-6-methyl-2-pyridinyl)-N-ethylpyrrolidine-3-carboxamide

C13H18ClN3O — CID 134711282

IUPAC1-(5-chloro-6-methyl-2-pyridinyl)-N-ethylpyrrolidine-3-carboxamide
SMILESCCNC(=O)C1CCN(c2ccc(Cl)c(C)n2)C1
InChIInChI=1S/C13H18ClN3O/c1-3-15-13(18)10-6-7-17(8-10)12-5-4-11(14)9(2)16-12/h4-5,10H,3,6-8H2,1-2H3,(H,15,18)
InChIKeyOYBKXARCZAIXEW-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.01
Rot. Bonds3

About 1-(5-chloro-6-methyl-2-pyridinyl)-N-ethylpyrrolidine-3-carboxamide

1-(5-chloro-6-methyl-2-pyridinyl)-N-ethylpyrrolidine-3-carboxamide (PubChem CID 134711282) has the molecular formula C13H18ClN3O and a molecular weight of 267.76 g/mol. Its IUPAC name is 1-(5-chloro-6-methyl-2-pyridinyl)-N-ethylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(5-chloro-6-methyl-2-pyridinyl)-N-ethylpyrrolidine-3-carboxamide
PubChem CID134711282
Molecular FormulaC13H18ClN3O
Molecular Weight267.76 g/mol
Exact Mass267.11
IUPAC Name1-(5-chloro-6-methyl-2-pyridinyl)-N-ethylpyrrolidine-3-carboxamide
SMILESCCNC(=O)C1CCN(c2ccc(Cl)c(C)n2)C1
InChIInChI=1S/C13H18ClN3O/c1-3-15-13(18)10-6-7-17(8-10)12-5-4-11(14)9(2)16-12/h4-5,10H,3,6-8H2,1-2H3,(H,15,18)
InChIKeyOYBKXARCZAIXEW-UHFFFAOYSA-N
XLogP2.01
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 1-(5-chloro-6-methyl-2-pyridinyl)piperidine-4-carboxylate
CID 170716467
1-(3-chloro-4-pyridinyl)-N-ethylpiperidine-3-carboxamide
CID 71977836
1-(2,6-dichlorophenyl)sulfonyl-N-ethylpiperidine-4-carboxamide
CID 40630200
1-[6-amino-2-[(4-methylphenyl)methylsulfanyl]pyrimidin-4-yl]-N-ethylpyrrolidine-3-carboxamide
CID 72847348
(3S)-N-ethyl-1-(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidine-3-carboxamide
CID 95861950
2-[3-(ethylcarbamoyl)pyrrolidin-1-yl]-1-methylbenzimidazole-5-carboxylic acid
CID 134704013
N-ethyl-1-(5-methoxypyrimidin-2-yl)pyrrolidine-3-carboxamide
CID 134697949
1-(6-chloro-2-pyridinyl)pyrrolidine-3-carboxamide
CID 107257847
N-ethyl-1-[6-(trifluoromethyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 133418255
methyl 6-[4-(benzylcarbamoyl)piperidin-1-yl]-2-methylpyridine-3-carboxylate
CID 133432193
ethyl (3S)-1-(2-chloropyrimidin-4-yl)pyrrolidine-3-carboxylate
CID 129499368
(3R)-N-ethyl-1-(2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)pyrrolidine-3-carboxamide
CID 95222188

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-6-methyl-2-pyridinyl)-N-ethylpyrrolidine-3-carboxamide?
The IUPAC name of 1-(5-chloro-6-methyl-2-pyridinyl)-N-ethylpyrrolidine-3-carboxamide (CID 134711282) is 1-(5-chloro-6-methyl-2-pyridinyl)-N-ethylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(5-chloro-6-methyl-2-pyridinyl)-N-ethylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-(5-chloro-6-methyl-2-pyridinyl)-N-ethylpyrrolidine-3-carboxamide is CCNC(=O)C1CCN(c2ccc(Cl)c(C)n2)C1.
What is the InChIKey of 1-(5-chloro-6-methyl-2-pyridinyl)-N-ethylpyrrolidine-3-carboxamide?
The InChIKey is OYBKXARCZAIXEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O/c1-3-15-13(18)10-6-7-17(8-10)12-5-4-11(14)9(2)16-12/h4-5,10H,3,6-8H2,1-2H3,(H,15,18).
What are the key properties of 1-(5-chloro-6-methyl-2-pyridinyl)-N-ethylpyrrolidine-3-carboxamide?
1-(5-chloro-6-methyl-2-pyridinyl)-N-ethylpyrrolidine-3-carboxamide has a molecular weight of 267.76 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-6-methyl-2-pyridinyl)-N-ethylpyrrolidine-3-carboxamide is sourced from PubChem (CID 134711282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).