1-(3-chlorophenyl)-N-cyclopropyl-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide

C20H20ClN3O2 — CID 55577980

IUPAC1-(3-chlorophenyl)-N-cyclopropyl-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
SMILESO=C1CC(C(=O)N(Cc2ccccn2)C2CC2)CN1c1cccc(Cl)c1
InChIInChI=1S/C20H20ClN3O2/c21-15-4-3-6-18(11-15)23-12-14(10-19(23)25)20(26)24(17-7-8-17)13-16-5-1-2-9-22-16/h1-6,9,11,14,17H,7-8,10,12-13H2
InChIKeyBYKLBCWJYBANBI-UHFFFAOYSA-N
MW369.85 g/mol
LogP3.28
Rot. Bonds5

About 1-(3-chlorophenyl)-N-cyclopropyl-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide

1-(3-chlorophenyl)-N-cyclopropyl-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide (PubChem CID 55577980) has the molecular formula C20H20ClN3O2 and a molecular weight of 369.85 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-cyclopropyl-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-cyclopropyl-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
PubChem CID55577980
Molecular FormulaC20H20ClN3O2
Molecular Weight369.85 g/mol
Exact Mass369.12
IUPAC Name1-(3-chlorophenyl)-N-cyclopropyl-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
SMILESO=C1CC(C(=O)N(Cc2ccccn2)C2CC2)CN1c1cccc(Cl)c1
InChIInChI=1S/C20H20ClN3O2/c21-15-4-3-6-18(11-15)23-12-14(10-19(23)25)20(26)24(17-7-8-17)13-16-5-1-2-9-22-16/h1-6,9,11,14,17H,7-8,10,12-13H2
InChIKeyBYKLBCWJYBANBI-UHFFFAOYSA-N
XLogP3.28
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.85
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorophenyl)-N-cyclohexyl-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 46584097
1-(3-chlorophenyl)-5-oxo-N-pyrimidin-2-ylpyrrolidine-3-carboxamide
CID 42953054
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 55980123
1-(3-bromophenyl)-N-cyclopropyl-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 42953091
1-(3-chlorophenyl)-5-oxo-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 55783616
2-[[1-(3-bromophenyl)-5-oxopyrrolidine-3-carbonyl]-cyclopropylamino]acetic acid
CID 119194539
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 55557051
(3R)-N-(4-methyl-1,3-benzothiazol-2-yl)-5-oxo-1-phenyl-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 51696135
(2-chlorophenyl) (3S)-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 9057050
N-(4-chlorophenyl)-1-(2-ethoxyphenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 60535937
1-(4-fluorophenyl)-5-oxo-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 52992577
2,2,2-trifluoroethyl 1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 71572693

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-cyclopropyl-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-N-cyclopropyl-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide (CID 55577980) is 1-(3-chlorophenyl)-N-cyclopropyl-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-cyclopropyl-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-cyclopropyl-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide is O=C1CC(C(=O)N(Cc2ccccn2)C2CC2)CN1c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-N-cyclopropyl-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide?
The InChIKey is BYKLBCWJYBANBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O2/c21-15-4-3-6-18(11-15)23-12-14(10-19(23)25)20(26)24(17-7-8-17)13-16-5-1-2-9-22-16/h1-6,9,11,14,17H,7-8,10,12-13H2.
What are the key properties of 1-(3-chlorophenyl)-N-cyclopropyl-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide?
1-(3-chlorophenyl)-N-cyclopropyl-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide has a molecular weight of 369.85 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-cyclopropyl-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 55577980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).