(6S)-6-(2,3-dimethylphenyl)-2-(4-fluorophenyl)-N-hydroxy-5,7-dihydrocyclopenta[d]pyrimidine-6-carboxamide

C22H20FN3O2 — CID 144972833

IUPAC(6S)-6-(2,3-dimethylphenyl)-2-(4-fluorophenyl)-N-hydroxy-5,7-dihydrocyclopenta[d]pyrimidine-6-carboxamide
SMILESCc1cccc([C@]2(C(=O)NO)Cc3cnc(-c4ccc(F)cc4)nc3C2)c1C
InChIInChI=1S/C22H20FN3O2/c1-13-4-3-5-18(14(13)2)22(21(27)26-28)10-16-12-24-20(25-19(16)11-22)15-6-8-17(23)9-7-15/h3-9,12,28H,10-11H2,1-2H3,(H,26,27)/t22-/m0/s1
InChIKeyYCMFXITVENSUBQ-QFIPXVFZSA-N
MW377.42 g/mol
LogP3.44
Rot. Bonds3

About (6S)-6-(2,3-dimethylphenyl)-2-(4-fluorophenyl)-N-hydroxy-5,7-dihydrocyclopenta[d]pyrimidine-6-carboxamide

(6S)-6-(2,3-dimethylphenyl)-2-(4-fluorophenyl)-N-hydroxy-5,7-dihydrocyclopenta[d]pyrimidine-6-carboxamide (PubChem CID 144972833) has the molecular formula C22H20FN3O2 and a molecular weight of 377.42 g/mol. Its IUPAC name is (6S)-6-(2,3-dimethylphenyl)-2-(4-fluorophenyl)-N-hydroxy-5,7-dihydrocyclopenta[d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name(6S)-6-(2,3-dimethylphenyl)-2-(4-fluorophenyl)-N-hydroxy-5,7-dihydrocyclopenta[d]pyrimidine-6-carboxamide
PubChem CID144972833
Molecular FormulaC22H20FN3O2
Molecular Weight377.42 g/mol
Exact Mass377.15
IUPAC Name(6S)-6-(2,3-dimethylphenyl)-2-(4-fluorophenyl)-N-hydroxy-5,7-dihydrocyclopenta[d]pyrimidine-6-carboxamide
SMILESCc1cccc([C@]2(C(=O)NO)Cc3cnc(-c4ccc(F)cc4)nc3C2)c1C
InChIInChI=1S/C22H20FN3O2/c1-13-4-3-5-18(14(13)2)22(21(27)26-28)10-16-12-24-20(25-19(16)11-22)15-6-8-17(23)9-7-15/h3-9,12,28H,10-11H2,1-2H3,(H,26,27)/t22-/m0/s1
InChIKeyYCMFXITVENSUBQ-QFIPXVFZSA-N
XLogP3.44
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-(3-fluoro-2-methylphenyl)-N-hydroxy-2-(trifluoromethyl)-5,7-dihydrocyclopenta[d]pyrimidine-6-carboxamide
CID 118559857
1-(2-fluoro-6-methylphenyl)-5-(3-fluoro-2-methylphenyl)-N-hydroxy-4,6-dihydrocyclopenta[d]pyrazole-5-carboxamide
CID 118559865
5-(3-fluoro-2-methylphenyl)-2-(4-fluoro-2-methylphenyl)-N-hydroxy-4,6-dihydrocyclopenta[d][1,3]thiazole-5-carboxamide
CID 129012803
5-(3-fluoro-2-methylphenyl)-2-(3-fluoro-2-pyridinyl)-N-hydroxy-4,6-dihydrocyclopenta[c]pyrazole-5-carboxamide
CID 118560052
(5S)-5-(3-fluoro-2-methylphenyl)-N-hydroxy-3-phenyl-4,6-dihydrocyclopenta[d][1,2]thiazole-5-carboxamide
CID 118569847
5-(3-fluoro-2-methylphenyl)-N-hydroxy-1-pyrazin-2-yl-4,6-dihydrocyclopenta[d]pyrazole-5-carboxamide
CID 118559901
5-(3-fluoro-2-methylphenyl)-N-hydroxy-1-(3-methylphenyl)-4,6-dihydrocyclopenta[d]pyrazole-5-carboxamide
CID 118559969
1-(2-chlorophenyl)-5-(3-fluoro-2-methylphenyl)-N-hydroxy-4,6-dihydrocyclopenta[d]pyrazole-5-carboxamide
CID 118560026
2-[4-[(3-fluoro-2-methylphenyl)methyl]-2-(4-fluorophenyl)pyrimidin-5-yl]-N-hydroxyacetamide
CID 129027649
N-(3-bromophenyl)-2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 53147195
2-(4-hydroxyphenyl)-7,7-dimethyl-5,8-dihydropyrido[4,3-d]pyrimidine-6-carboxylic acid
CID 175236339
(2,3-dimethylphenyl) 4-fluorobenzoate
CID 837549

Frequently Asked Questions

What is the IUPAC name of (6S)-6-(2,3-dimethylphenyl)-2-(4-fluorophenyl)-N-hydroxy-5,7-dihydrocyclopenta[d]pyrimidine-6-carboxamide?
The IUPAC name of (6S)-6-(2,3-dimethylphenyl)-2-(4-fluorophenyl)-N-hydroxy-5,7-dihydrocyclopenta[d]pyrimidine-6-carboxamide (CID 144972833) is (6S)-6-(2,3-dimethylphenyl)-2-(4-fluorophenyl)-N-hydroxy-5,7-dihydrocyclopenta[d]pyrimidine-6-carboxamide.
What is the SMILES notation for (6S)-6-(2,3-dimethylphenyl)-2-(4-fluorophenyl)-N-hydroxy-5,7-dihydrocyclopenta[d]pyrimidine-6-carboxamide?
The canonical SMILES for (6S)-6-(2,3-dimethylphenyl)-2-(4-fluorophenyl)-N-hydroxy-5,7-dihydrocyclopenta[d]pyrimidine-6-carboxamide is Cc1cccc([C@]2(C(=O)NO)Cc3cnc(-c4ccc(F)cc4)nc3C2)c1C.
What is the InChIKey of (6S)-6-(2,3-dimethylphenyl)-2-(4-fluorophenyl)-N-hydroxy-5,7-dihydrocyclopenta[d]pyrimidine-6-carboxamide?
The InChIKey is YCMFXITVENSUBQ-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H20FN3O2/c1-13-4-3-5-18(14(13)2)22(21(27)26-28)10-16-12-24-20(25-19(16)11-22)15-6-8-17(23)9-7-15/h3-9,12,28H,10-11H2,1-2H3,(H,26,27)/t22-/m0/s1.
What are the key properties of (6S)-6-(2,3-dimethylphenyl)-2-(4-fluorophenyl)-N-hydroxy-5,7-dihydrocyclopenta[d]pyrimidine-6-carboxamide?
(6S)-6-(2,3-dimethylphenyl)-2-(4-fluorophenyl)-N-hydroxy-5,7-dihydrocyclopenta[d]pyrimidine-6-carboxamide has a molecular weight of 377.42 g/mol, XLogP of 3.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-(2,3-dimethylphenyl)-2-(4-fluorophenyl)-N-hydroxy-5,7-dihydrocyclopenta[d]pyrimidine-6-carboxamide is sourced from PubChem (CID 144972833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).