(4S)-1-(2-cyano-3-pyridinyl)-N-[(2,4-dichlorophenyl)methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide

C18H15Cl2N5O2 — CID 71463313

IUPAC(4S)-1-(2-cyano-3-pyridinyl)-N-[(2,4-dichlorophenyl)methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide
SMILESCN1C(=O)N(c2cccnc2C#N)C[C@H]1C(=O)NCc1ccc(Cl)cc1Cl
InChIInChI=1S/C18H15Cl2N5O2/c1-24-16(17(26)23-9-11-4-5-12(19)7-13(11)20)10-25(18(24)27)15-3-2-6-22-14(15)8-21/h2-7,16H,9-10H2,1H3,(H,23,26)/t16-/m0/s1
InChIKeyUCVJEEOZEMXUJR-INIZCTEOSA-N
MW404.26 g/mol
LogP2.82
Rot. Bonds4

About (4S)-1-(2-cyano-3-pyridinyl)-N-[(2,4-dichlorophenyl)methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide

(4S)-1-(2-cyano-3-pyridinyl)-N-[(2,4-dichlorophenyl)methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide (PubChem CID 71463313) has the molecular formula C18H15Cl2N5O2 and a molecular weight of 404.26 g/mol. Its IUPAC name is (4S)-1-(2-cyano-3-pyridinyl)-N-[(2,4-dichlorophenyl)methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-1-(2-cyano-3-pyridinyl)-N-[(2,4-dichlorophenyl)methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide
PubChem CID71463313
Molecular FormulaC18H15Cl2N5O2
Molecular Weight404.26 g/mol
Exact Mass403.06
IUPAC Name(4S)-1-(2-cyano-3-pyridinyl)-N-[(2,4-dichlorophenyl)methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide
SMILESCN1C(=O)N(c2cccnc2C#N)C[C@H]1C(=O)NCc1ccc(Cl)cc1Cl
InChIInChI=1S/C18H15Cl2N5O2/c1-24-16(17(26)23-9-11-4-5-12(19)7-13(11)20)10-25(18(24)27)15-3-2-6-22-14(15)8-21/h2-7,16H,9-10H2,1H3,(H,23,26)/t16-/m0/s1
InChIKeyUCVJEEOZEMXUJR-INIZCTEOSA-N
XLogP2.82
TPSA89.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.26
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4S)-1-(2-cyano-3-pyridinyl)-N-[(2,4-dichlorophenyl)methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4S)-N-[(2,4-dichlorophenyl)methyl]-3-methyl-1-(3-methyl-2-pyridinyl)-2-oxoimidazolidine-4-carboxamide
CID 71461570
N-[(2,4-dichlorophenyl)methyl]-1-(2,6-dimethyl-3-pyridinyl)-3-methyl-2-oxoimidazolidine-4-carboxamide
CID 25094619
N-[(2,4-dichlorophenyl)methyl]-3-methyl-2-oxo-1-[4-(trifluoromethyl)pyrimidin-2-yl]imidazolidine-4-carboxamide
CID 25094350
(4S)-N-[(2-chloro-4-fluorophenyl)methyl]-1-(2,6-dimethyl-3-pyridinyl)-3-methyl-2-oxoimidazolidine-4-carboxamide
CID 71459840
N-[(2-chloro-4-fluorophenyl)methyl]-3-methyl-1-(6-methyl-2-pyridinyl)-2-oxoimidazolidine-4-carboxamide
CID 25096712
(4S)-N-[(2-chloro-4-fluorophenyl)methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide
CID 71463306
N-[(2-chloro-3,4-difluorophenyl)methyl]-3-methyl-1-(6-methyl-3-pyridinyl)-2-oxoimidazolidine-4-carboxamide
CID 25095700
N-[[2-(aminomethyl)-4-chlorophenyl]methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide
CID 151232699
(5S,8S)-N-[(2,4-dichlorophenyl)methyl]-8-hydroxy-5,6,7,8-tetrahydroquinoline-5-carboxamide
CID 142429457
N-[(2,4-dichlorophenyl)methyl]-8-hydroxy-5,6,7,8-tetrahydroquinoline-5-carboxamide
CID 156663898
N-[(2,4-dichlorophenyl)methyl]-1-ethyl-4,4-dimethyl-5-oxopyrrolidine-2-carboxamide
CID 42641128
(2S)-1-N,2-N-bis[(2,4-dichlorophenyl)methyl]-5-oxopyrrolidine-1,2-dicarboxamide
CID 139551537

Frequently Asked Questions

What is the IUPAC name of (4S)-1-(2-cyano-3-pyridinyl)-N-[(2,4-dichlorophenyl)methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide?
The IUPAC name of (4S)-1-(2-cyano-3-pyridinyl)-N-[(2,4-dichlorophenyl)methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide (CID 71463313) is (4S)-1-(2-cyano-3-pyridinyl)-N-[(2,4-dichlorophenyl)methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide.
What is the SMILES notation for (4S)-1-(2-cyano-3-pyridinyl)-N-[(2,4-dichlorophenyl)methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide?
The canonical SMILES for (4S)-1-(2-cyano-3-pyridinyl)-N-[(2,4-dichlorophenyl)methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide is CN1C(=O)N(c2cccnc2C#N)C[C@H]1C(=O)NCc1ccc(Cl)cc1Cl.
What is the InChIKey of (4S)-1-(2-cyano-3-pyridinyl)-N-[(2,4-dichlorophenyl)methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide?
The InChIKey is UCVJEEOZEMXUJR-INIZCTEOSA-N. The full InChI is InChI=1S/C18H15Cl2N5O2/c1-24-16(17(26)23-9-11-4-5-12(19)7-13(11)20)10-25(18(24)27)15-3-2-6-22-14(15)8-21/h2-7,16H,9-10H2,1H3,(H,23,26)/t16-/m0/s1.
What are the key properties of (4S)-1-(2-cyano-3-pyridinyl)-N-[(2,4-dichlorophenyl)methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide?
(4S)-1-(2-cyano-3-pyridinyl)-N-[(2,4-dichlorophenyl)methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide has a molecular weight of 404.26 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-(2-cyano-3-pyridinyl)-N-[(2,4-dichlorophenyl)methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide is sourced from PubChem (CID 71463313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).