(2R)-N-[(2,4-dichlorophenyl)methyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide

C18H17Cl2N3O2 — CID 71454382

IUPAC(2R)-N-[(2,4-dichlorophenyl)methyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1Cl)[C@H]1CCC(=O)N1Cc1cccnc1
InChIInChI=1S/C18H17Cl2N3O2/c19-14-4-3-13(15(20)8-14)10-22-18(25)16-5-6-17(24)23(16)11-12-2-1-7-21-9-12/h1-4,7-9,16H,5-6,10-11H2,(H,22,25)/t16-/m1/s1
InChIKeyREVMNCWOWZSCJH-MRXNPFEDSA-N
MW378.26 g/mol
LogP3.20
Rot. Bonds5

About (2R)-N-[(2,4-dichlorophenyl)methyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide

(2R)-N-[(2,4-dichlorophenyl)methyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide (PubChem CID 71454382) has the molecular formula C18H17Cl2N3O2 and a molecular weight of 378.26 g/mol. Its IUPAC name is (2R)-N-[(2,4-dichlorophenyl)methyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(2,4-dichlorophenyl)methyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
PubChem CID71454382
Molecular FormulaC18H17Cl2N3O2
Molecular Weight378.26 g/mol
Exact Mass377.07
IUPAC Name(2R)-N-[(2,4-dichlorophenyl)methyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1Cl)[C@H]1CCC(=O)N1Cc1cccnc1
InChIInChI=1S/C18H17Cl2N3O2/c19-14-4-3-13(15(20)8-14)10-22-18(25)16-5-6-17(24)23(16)11-12-2-1-7-21-9-12/h1-4,7-9,16H,5-6,10-11H2,(H,22,25)/t16-/m1/s1
InChIKeyREVMNCWOWZSCJH-MRXNPFEDSA-N
XLogP3.20
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.26
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-7-oxo-5H-pyrrolo[3,4-b]pyridin-6-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 57403171
N-[2-[(2,4-dichlorobenzoyl)amino]ethyl]pyridine-2-carboxamide
CID 2991064
2-[3-(2-chlorobenzyl)-2-oxoimidazolidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 15993317
2-(2,4-dichlorophenyl)-N-(pyridin-3-ylmethyl)acetamide
CID 16250036
2-(3-chloro-N-(2-chloro-1-oxoethyl)anilino)-N-cyclohexyl-2-(3-pyridinyl)acetamide
CID 4381127
N-(2-((4-chlorophenyl)(phenyl)methylamino)-2-oxoethyl)isonicotinamide
CID 44579189
(4S)-N-[(2,4-dichlorophenyl)methyl]-3-methyl-1-(2-methyl-3-pyridinyl)-2-oxoimidazolidine-4-carboxamide
CID 52949177
N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-pyridin-4-ylacetamide
CID 57888707
1-(1-(4-chlorobenzyl)-1H-pyrrole-2-carbonyl)-N-(2-(pyridin-4-yl)ethyl)piperidine-4-carboxamide
CID 66571568
N-[2-(2,4-Dichlorophenyl)ethyl]-3-pyridinecarboxamide
CID 17472910
1-(4-Chlorophenyl)-3-[(pyridin-4-ylmethyl)amino]pyrrolidine-2,5-dione
CID 661653
3-(2,4-dichlorophenyl)-N-(4-pyridinylmethyl)acrylamide
CID 873748

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2,4-dichlorophenyl)methyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-[(2,4-dichlorophenyl)methyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide (CID 71454382) is (2R)-N-[(2,4-dichlorophenyl)methyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[(2,4-dichlorophenyl)methyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-[(2,4-dichlorophenyl)methyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide is O=C(NCc1ccc(Cl)cc1Cl)[C@H]1CCC(=O)N1Cc1cccnc1.
What is the InChIKey of (2R)-N-[(2,4-dichlorophenyl)methyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide?
The InChIKey is REVMNCWOWZSCJH-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H17Cl2N3O2/c19-14-4-3-13(15(20)8-14)10-22-18(25)16-5-6-17(24)23(16)11-12-2-1-7-21-9-12/h1-4,7-9,16H,5-6,10-11H2,(H,22,25)/t16-/m1/s1.
What are the key properties of (2R)-N-[(2,4-dichlorophenyl)methyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide?
(2R)-N-[(2,4-dichlorophenyl)methyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide has a molecular weight of 378.26 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2,4-dichlorophenyl)methyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 71454382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).