N-[(6-chloro-3-pyridinyl)methyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide

C15H20ClN3O2 — CID 166541739

IUPACN-[(6-chloro-3-pyridinyl)methyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)CN1CC(C(=O)NCc2ccc(Cl)nc2)CC1=O
InChIInChI=1S/C15H20ClN3O2/c1-10(2)8-19-9-12(5-14(19)20)15(21)18-7-11-3-4-13(16)17-6-11/h3-4,6,10,12H,5,7-9H2,1-2H3,(H,18,21)
InChIKeyLPQGCDCRMDSSFW-UHFFFAOYSA-N
MW309.80 g/mol
LogP1.86
Rot. Bonds5

About N-[(6-chloro-3-pyridinyl)methyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide

N-[(6-chloro-3-pyridinyl)methyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 166541739) has the molecular formula C15H20ClN3O2 and a molecular weight of 309.80 g/mol. Its IUPAC name is N-[(6-chloro-3-pyridinyl)methyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(6-chloro-3-pyridinyl)methyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID166541739
Molecular FormulaC15H20ClN3O2
Molecular Weight309.80 g/mol
Exact Mass309.12
IUPAC NameN-[(6-chloro-3-pyridinyl)methyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)CN1CC(C(=O)NCc2ccc(Cl)nc2)CC1=O
InChIInChI=1S/C15H20ClN3O2/c1-10(2)8-19-9-12(5-14(19)20)15(21)18-7-11-3-4-13(16)17-6-11/h3-4,6,10,12H,5,7-9H2,1-2H3,(H,18,21)
InChIKeyLPQGCDCRMDSSFW-UHFFFAOYSA-N
XLogP1.86
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 51.86
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

(3R)-N-[[4-(dimethylamino)phenyl]methyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 37004002
3-[[[1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]benzoic acid
CID 166178785
N-(3-methylbutyl)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 47025507
(3R)-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 95127546
1-(2-methylpropyl)-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 46109453
(3S)-1-(2-methylpropyl)-5-oxo-N-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidine-3-carboxamide
CID 94125427
1-(2-methylpropyl)-5-oxo-N-[2-(4-sulfamoylphenyl)ethyl]pyrrolidine-3-carboxamide
CID 113182044
1-[2-(4-chlorophenyl)ethyl]-5-oxo-N-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 113185012
(3R)-N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 95140980
(3S)-N-(2-bromoprop-2-enyl)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 95254623
N-(4-hydroxy-2-methylbutyl)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 66109437
methyl 2-[4-[[(3R)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]amino]phenyl]acetate
CID 37028365

Frequently Asked Questions

What is the IUPAC name of N-[(6-chloro-3-pyridinyl)methyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[(6-chloro-3-pyridinyl)methyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide (CID 166541739) is N-[(6-chloro-3-pyridinyl)methyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(6-chloro-3-pyridinyl)methyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[(6-chloro-3-pyridinyl)methyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide is CC(C)CN1CC(C(=O)NCc2ccc(Cl)nc2)CC1=O.
What is the InChIKey of N-[(6-chloro-3-pyridinyl)methyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is LPQGCDCRMDSSFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O2/c1-10(2)8-19-9-12(5-14(19)20)15(21)18-7-11-3-4-13(16)17-6-11/h3-4,6,10,12H,5,7-9H2,1-2H3,(H,18,21).
What are the key properties of N-[(6-chloro-3-pyridinyl)methyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide?
N-[(6-chloro-3-pyridinyl)methyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 309.80 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloro-3-pyridinyl)methyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 166541739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).