(3R)-N-(5-chloro-2-pyridinyl)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide

C18H18ClN3O3 — CID 41025414

IUPAC(3R)-N-(5-chloro-2-pyridinyl)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(C)cc1N1C[C@H](C(=O)Nc2ccc(Cl)cn2)CC1=O
InChIInChI=1S/C18H18ClN3O3/c1-11-3-5-15(25-2)14(7-11)22-10-12(8-17(22)23)18(24)21-16-6-4-13(19)9-20-16/h3-7,9,12H,8,10H2,1-2H3,(H,20,21,24)/t12-/m1/s1
InChIKeyYMFUWKNJTSTLQT-GFCCVEGCSA-N
MW359.81 g/mol
LogP3.04
Rot. Bonds4

About (3R)-N-(5-chloro-2-pyridinyl)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide

(3R)-N-(5-chloro-2-pyridinyl)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 41025414) has the molecular formula C18H18ClN3O3 and a molecular weight of 359.81 g/mol. Its IUPAC name is (3R)-N-(5-chloro-2-pyridinyl)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(5-chloro-2-pyridinyl)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID41025414
Molecular FormulaC18H18ClN3O3
Molecular Weight359.81 g/mol
Exact Mass359.10
IUPAC Name(3R)-N-(5-chloro-2-pyridinyl)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(C)cc1N1C[C@H](C(=O)Nc2ccc(Cl)cn2)CC1=O
InChIInChI=1S/C18H18ClN3O3/c1-11-3-5-15(25-2)14(7-11)22-10-12(8-17(22)23)18(24)21-16-6-4-13(19)9-20-16/h3-7,9,12H,8,10H2,1-2H3,(H,20,21,24)/t12-/m1/s1
InChIKeyYMFUWKNJTSTLQT-GFCCVEGCSA-N
XLogP3.04
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.81
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-(2-methoxy-5-methylphenyl)-N-(5-morpholin-4-yl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 38139612
N-(2,6-dichlorophenyl)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113188236
(3S)-N-(2-chloro-4-methylphenyl)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8885963
(3S)-1-(2-methoxy-5-methylphenyl)-N-(1-methylpyrazol-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 94179751
2-[3-[[(3R)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]pyrazol-1-yl]acetic acid
CID 125132512
1-(2-methoxy-5-methylphenyl)-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 17019101
N-(2-hydroxy-5-methylphenyl)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 108801213
(3R)-1-(2-methoxy-5-methylphenyl)-5-oxo-N-pyridin-3-ylpyrrolidine-3-carboxamide
CID 40991014
(3R)-N-[6-(dimethylamino)-3-pyridinyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 30273084
N-(5-chloro-2-morpholin-4-ylphenyl)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42999905
(3R)-1-(5-chloro-2-methoxyphenyl)-N-(5-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8502369
(3R)-N-[(3R)-2,3-dimethyl-3,4-dihydropyrazol-5-yl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 97339337

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(5-chloro-2-pyridinyl)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-(5-chloro-2-pyridinyl)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 41025414) is (3R)-N-(5-chloro-2-pyridinyl)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(5-chloro-2-pyridinyl)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-(5-chloro-2-pyridinyl)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide is COc1ccc(C)cc1N1C[C@H](C(=O)Nc2ccc(Cl)cn2)CC1=O.
What is the InChIKey of (3R)-N-(5-chloro-2-pyridinyl)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is YMFUWKNJTSTLQT-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H18ClN3O3/c1-11-3-5-15(25-2)14(7-11)22-10-12(8-17(22)23)18(24)21-16-6-4-13(19)9-20-16/h3-7,9,12H,8,10H2,1-2H3,(H,20,21,24)/t12-/m1/s1.
What are the key properties of (3R)-N-(5-chloro-2-pyridinyl)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
(3R)-N-(5-chloro-2-pyridinyl)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 359.81 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(5-chloro-2-pyridinyl)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 41025414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).