(4S)-N-[(R)-(3-chloro-4-fluorophenyl)-(6-cyano-2-pyridinyl)methyl]-2-oxoimidazolidine-4-carboxamide

C17H13ClFN5O2 — CID 175417242

IUPAC(4S)-N-[(R)-(3-chloro-4-fluorophenyl)-(6-cyano-2-pyridinyl)methyl]-2-oxoimidazolidine-4-carboxamide
SMILESN#Cc1cccc([C@H](NC(=O)[C@@H]2CNC(=O)N2)c2ccc(F)c(Cl)c2)n1
InChIInChI=1S/C17H13ClFN5O2/c18-11-6-9(4-5-12(11)19)15(13-3-1-2-10(7-20)22-13)24-16(25)14-8-21-17(26)23-14/h1-6,14-15H,8H2,(H,24,25)(H2,21,23,26)/t14-,15+/m0/s1
InChIKeyMXVKHQMZAHSELU-LSDHHAIUSA-N
MW373.78 g/mol
LogP1.63
Rot. Bonds4

About (4S)-N-[(R)-(3-chloro-4-fluorophenyl)-(6-cyano-2-pyridinyl)methyl]-2-oxoimidazolidine-4-carboxamide

(4S)-N-[(R)-(3-chloro-4-fluorophenyl)-(6-cyano-2-pyridinyl)methyl]-2-oxoimidazolidine-4-carboxamide (PubChem CID 175417242) has the molecular formula C17H13ClFN5O2 and a molecular weight of 373.78 g/mol. Its IUPAC name is (4S)-N-[(R)-(3-chloro-4-fluorophenyl)-(6-cyano-2-pyridinyl)methyl]-2-oxoimidazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-[(R)-(3-chloro-4-fluorophenyl)-(6-cyano-2-pyridinyl)methyl]-2-oxoimidazolidine-4-carboxamide
PubChem CID175417242
Molecular FormulaC17H13ClFN5O2
Molecular Weight373.78 g/mol
Exact Mass373.07
IUPAC Name(4S)-N-[(R)-(3-chloro-4-fluorophenyl)-(6-cyano-2-pyridinyl)methyl]-2-oxoimidazolidine-4-carboxamide
SMILESN#Cc1cccc([C@H](NC(=O)[C@@H]2CNC(=O)N2)c2ccc(F)c(Cl)c2)n1
InChIInChI=1S/C17H13ClFN5O2/c18-11-6-9(4-5-12(11)19)15(13-3-1-2-10(7-20)22-13)24-16(25)14-8-21-17(26)23-14/h1-6,14-15H,8H2,(H,24,25)(H2,21,23,26)/t14-,15+/m0/s1
InChIKeyMXVKHQMZAHSELU-LSDHHAIUSA-N
XLogP1.63
TPSA106.91 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.78
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (4S)-N-[(R)-(3-chloro-4-fluorophenyl)-(6-cyano-2-pyridinyl)methyl]-2-oxoimidazolidine-4-carboxamide with MolForge

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Related Compounds

N-[(S)-1,3-benzothiazol-2-yl-(3-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidine-4-carboxamide
CID 175417212
(4S)-N-[(S)-1,3-benzothiazol-2-yl-(3-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidine-4-carboxamide
CID 162520888
(4S)-N-[(S)-(5-chloro-1-benzofuran-2-yl)-(3-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidine-4-carboxamide
CID 162520848
(4S)-N-[(R)-(4-chlorophenyl)-phenylmethyl]-2-oxoimidazolidine-4-carboxamide
CID 97081299
(4S)-N-[(R)-(4-chlorophenyl)-[5-fluoro-4-(trifluoromethyl)-2-pyridinyl]methyl]-2-oxoimidazolidine-4-carboxamide
CID 162520836
(4S)-N-[2-(3-chloro-4-fluorophenoxy)-1-(3-chloro-4-fluorophenyl)ethyl]-2-oxoimidazolidine-4-carboxamide
CID 162509714
N-[(R)-[5-fluoro-6-(trifluoromethyl)-2-pyridinyl]-[4-(trifluoromethoxy)phenyl]methyl]-2-oxoimidazolidine-4-carboxamide
CID 175417175
(4S)-N-[(R)-(4-chloro-3-cyanophenyl)-[4-(trifluoromethoxy)phenyl]methyl]-2-oxoimidazolidine-4-carboxamide
CID 162520786
tert-butyl-[[(R)-(3-chloro-4-fluorophenyl)-(6-cyano-2-pyridinyl)methyl]amino]-oxidosulfanium
CID 175878359
(4S)-N-[(S)-(4-chlorophenyl)-pyrazolo[1,5-a]pyridin-5-ylmethyl]-2-oxoimidazolidine-4-carboxamide
CID 162520803
N-[(R)-[3-chloro-4-(trifluoromethoxy)phenyl]-[2-(trifluoromethyl)-1,3-oxazol-4-yl]methyl]-2-oxoimidazolidine-4-carboxamide
CID 175417158
2-oxo-N-[phenyl(pyridin-2-yl)methyl]imidazolidine-4-carboxamide
CID 167790880

Frequently Asked Questions

What is the IUPAC name of (4S)-N-[(R)-(3-chloro-4-fluorophenyl)-(6-cyano-2-pyridinyl)methyl]-2-oxoimidazolidine-4-carboxamide?
The IUPAC name of (4S)-N-[(R)-(3-chloro-4-fluorophenyl)-(6-cyano-2-pyridinyl)methyl]-2-oxoimidazolidine-4-carboxamide (CID 175417242) is (4S)-N-[(R)-(3-chloro-4-fluorophenyl)-(6-cyano-2-pyridinyl)methyl]-2-oxoimidazolidine-4-carboxamide.
What is the SMILES notation for (4S)-N-[(R)-(3-chloro-4-fluorophenyl)-(6-cyano-2-pyridinyl)methyl]-2-oxoimidazolidine-4-carboxamide?
The canonical SMILES for (4S)-N-[(R)-(3-chloro-4-fluorophenyl)-(6-cyano-2-pyridinyl)methyl]-2-oxoimidazolidine-4-carboxamide is N#Cc1cccc([C@H](NC(=O)[C@@H]2CNC(=O)N2)c2ccc(F)c(Cl)c2)n1.
What is the InChIKey of (4S)-N-[(R)-(3-chloro-4-fluorophenyl)-(6-cyano-2-pyridinyl)methyl]-2-oxoimidazolidine-4-carboxamide?
The InChIKey is MXVKHQMZAHSELU-LSDHHAIUSA-N. The full InChI is InChI=1S/C17H13ClFN5O2/c18-11-6-9(4-5-12(11)19)15(13-3-1-2-10(7-20)22-13)24-16(25)14-8-21-17(26)23-14/h1-6,14-15H,8H2,(H,24,25)(H2,21,23,26)/t14-,15+/m0/s1.
What are the key properties of (4S)-N-[(R)-(3-chloro-4-fluorophenyl)-(6-cyano-2-pyridinyl)methyl]-2-oxoimidazolidine-4-carboxamide?
(4S)-N-[(R)-(3-chloro-4-fluorophenyl)-(6-cyano-2-pyridinyl)methyl]-2-oxoimidazolidine-4-carboxamide has a molecular weight of 373.78 g/mol, XLogP of 1.63, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-[(R)-(3-chloro-4-fluorophenyl)-(6-cyano-2-pyridinyl)methyl]-2-oxoimidazolidine-4-carboxamide is sourced from PubChem (CID 175417242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).