N-(6-chloro-4-methyl-3-pyridinyl)-2-(2-oxopyrrolidin-1-yl)acetamide

C12H14ClN3O2 — CID 113262958

IUPACN-(6-chloro-4-methyl-3-pyridinyl)-2-(2-oxopyrrolidin-1-yl)acetamide
SMILESCc1cc(Cl)ncc1NC(=O)CN1CCCC1=O
InChIInChI=1S/C12H14ClN3O2/c1-8-5-10(13)14-6-9(8)15-11(17)7-16-4-2-3-12(16)18/h5-6H,2-4,7H2,1H3,(H,15,17)
InChIKeyRCIJJFWBCSIMBZ-UHFFFAOYSA-N
MW267.72 g/mol
LogP1.60
Rot. Bonds3

About N-(6-chloro-4-methyl-3-pyridinyl)-2-(2-oxopyrrolidin-1-yl)acetamide

N-(6-chloro-4-methyl-3-pyridinyl)-2-(2-oxopyrrolidin-1-yl)acetamide (PubChem CID 113262958) has the molecular formula C12H14ClN3O2 and a molecular weight of 267.72 g/mol. Its IUPAC name is N-(6-chloro-4-methyl-3-pyridinyl)-2-(2-oxopyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(6-chloro-4-methyl-3-pyridinyl)-2-(2-oxopyrrolidin-1-yl)acetamide
PubChem CID113262958
Molecular FormulaC12H14ClN3O2
Molecular Weight267.72 g/mol
Exact Mass267.08
IUPAC NameN-(6-chloro-4-methyl-3-pyridinyl)-2-(2-oxopyrrolidin-1-yl)acetamide
SMILESCc1cc(Cl)ncc1NC(=O)CN1CCCC1=O
InChIInChI=1S/C12H14ClN3O2/c1-8-5-10(13)14-6-9(8)15-11(17)7-16-4-2-3-12(16)18/h5-6H,2-4,7H2,1H3,(H,15,17)
InChIKeyRCIJJFWBCSIMBZ-UHFFFAOYSA-N
XLogP1.60
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.72
LogP ≤ 51.60
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

N-(4-chloro-2-methylphenyl)-2-(2-oxopiperidin-1-yl)acetamide
CID 86930614
N-(2-amino-5-chlorophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 16794654
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 110689931
N-(3-fluoro-4-methylphenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 9210623
N-(3,5-dichlorophenyl)-2-(2-oxopiperidin-1-yl)acetamide
CID 110689887
2-methyl-4-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]-1H-pyrrole-3-carboxylic acid
CID 82880495
N-(4-bromo-2-ethylphenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 81003857
N-(4-methyl-2-pyridinyl)-2-(2-oxoazocan-1-yl)acetamide
CID 47265912
N-(2-bromo-4-methylphenyl)-2-(2-oxopiperidin-1-yl)acetamide
CID 110689876
N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-2-(2-oxopiperidin-1-yl)acetamide
CID 78868578
N-(2-chloro-4-fluorophenyl)-2-(2-oxoazepan-1-yl)acetamide
CID 4787566
N-(2,4-dimethoxyphenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 47111322

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-4-methyl-3-pyridinyl)-2-(2-oxopyrrolidin-1-yl)acetamide?
The IUPAC name of N-(6-chloro-4-methyl-3-pyridinyl)-2-(2-oxopyrrolidin-1-yl)acetamide (CID 113262958) is N-(6-chloro-4-methyl-3-pyridinyl)-2-(2-oxopyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-(6-chloro-4-methyl-3-pyridinyl)-2-(2-oxopyrrolidin-1-yl)acetamide?
The canonical SMILES for N-(6-chloro-4-methyl-3-pyridinyl)-2-(2-oxopyrrolidin-1-yl)acetamide is Cc1cc(Cl)ncc1NC(=O)CN1CCCC1=O.
What is the InChIKey of N-(6-chloro-4-methyl-3-pyridinyl)-2-(2-oxopyrrolidin-1-yl)acetamide?
The InChIKey is RCIJJFWBCSIMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O2/c1-8-5-10(13)14-6-9(8)15-11(17)7-16-4-2-3-12(16)18/h5-6H,2-4,7H2,1H3,(H,15,17).
What are the key properties of N-(6-chloro-4-methyl-3-pyridinyl)-2-(2-oxopyrrolidin-1-yl)acetamide?
N-(6-chloro-4-methyl-3-pyridinyl)-2-(2-oxopyrrolidin-1-yl)acetamide has a molecular weight of 267.72 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-4-methyl-3-pyridinyl)-2-(2-oxopyrrolidin-1-yl)acetamide is sourced from PubChem (CID 113262958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).