(1R,3S,4S)-4-hydroxy-1-N-[4-(2-oxopyrazin-1-yl)phenyl]cyclopentane-1,3-dicarboxamide

C17H18N4O4 — CID 68683077

IUPAC(1R,3S,4S)-4-hydroxy-1-N-[4-(2-oxopyrazin-1-yl)phenyl]cyclopentane-1,3-dicarboxamide
SMILESNC(=O)[C@H]1C[C@@H](C(=O)Nc2ccc(-n3ccncc3=O)cc2)C[C@@H]1O
InChIInChI=1S/C17H18N4O4/c18-16(24)13-7-10(8-14(13)22)17(25)20-11-1-3-12(4-2-11)21-6-5-19-9-15(21)23/h1-6,9-10,13-14,22H,7-8H2,(H2,18,24)(H,20,25)/t10-,13+,14+/m1/s1
InChIKeyVCOIMPVYJAFMJG-SWHYSGLUSA-N
MW342.36 g/mol
LogP0.04
Rot. Bonds4

About (1R,3S,4S)-4-hydroxy-1-N-[4-(2-oxopyrazin-1-yl)phenyl]cyclopentane-1,3-dicarboxamide

(1R,3S,4S)-4-hydroxy-1-N-[4-(2-oxopyrazin-1-yl)phenyl]cyclopentane-1,3-dicarboxamide (PubChem CID 68683077) has the molecular formula C17H18N4O4 and a molecular weight of 342.36 g/mol. Its IUPAC name is (1R,3S,4S)-4-hydroxy-1-N-[4-(2-oxopyrazin-1-yl)phenyl]cyclopentane-1,3-dicarboxamide.

Molecular Properties

Compound Name(1R,3S,4S)-4-hydroxy-1-N-[4-(2-oxopyrazin-1-yl)phenyl]cyclopentane-1,3-dicarboxamide
PubChem CID68683077
Molecular FormulaC17H18N4O4
Molecular Weight342.36 g/mol
Exact Mass342.13
IUPAC Name(1R,3S,4S)-4-hydroxy-1-N-[4-(2-oxopyrazin-1-yl)phenyl]cyclopentane-1,3-dicarboxamide
SMILESNC(=O)[C@H]1C[C@@H](C(=O)Nc2ccc(-n3ccncc3=O)cc2)C[C@@H]1O
InChIInChI=1S/C17H18N4O4/c18-16(24)13-7-10(8-14(13)22)17(25)20-11-1-3-12(4-2-11)21-6-5-19-9-15(21)23/h1-6,9-10,13-14,22H,7-8H2,(H2,18,24)(H,20,25)/t10-,13+,14+/m1/s1
InChIKeyVCOIMPVYJAFMJG-SWHYSGLUSA-N
XLogP0.04
TPSA127.31 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-N-[2-fluoro-4-(2-oxopyrazin-1-yl)phenyl]-4-hydroxycyclopentane-1,3-dicarboxamide
CID 68685877
1-N-(4-chlorophenyl)-2-N-[4-(2-oxopyrazin-1-yl)phenyl]-2,5-dihydropyrrole-1,2-dicarboxamide
CID 66593440
(1S)-2-N-(4-methylphenyl)-1-N-[4-(2-oxopyrazin-1-yl)phenyl]-1,3-dihydroisoindole-1,2-dicarboxamide
CID 69497239
5-chloro-N-[(1R,2S)-2-[[4-(2-oxopyrazin-1-yl)phenyl]carbamoyl]cyclopentyl]thiophene-2-carboxamide
CID 157373957
(4R,5S)-3-N-(4-chlorophenyl)-5-methyl-4-N-[4-(2-oxopyrazin-1-yl)phenyl]-1,3-oxazolidine-3,4-dicarboxamide
CID 66593208
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-imidazol-1-ylcyclobutane-1-carboxamide
CID 166278294
(1R,3S,4S)-1-N-[3-fluoro-4-(3-oxomorpholin-4-yl)phenyl]-4-hydroxycyclopentane-1,3-dicarboxamide
CID 68689471
1-acetyl-4-N-[4-(2-oxo-1-pyridinyl)phenyl]piperidine-2,4-dicarboxamide
CID 173143047
2-N-[4-(2-oxopyrrolidin-1-yl)phenyl]cyclobutane-1,2-dicarboxamide
CID 167890277
5-oxo-N-(4-pyrazol-1-ylphenyl)pyrrolidine-3-carboxamide
CID 78981738
4-amino-N-[4-(2-oxo-1-pyridinyl)phenyl]oxolane-3-carboxamide
CID 69439141
N-(3-imidazol-1-ylphenyl)cyclopropanecarboxamide
CID 47215374

Frequently Asked Questions

What is the IUPAC name of (1R,3S,4S)-4-hydroxy-1-N-[4-(2-oxopyrazin-1-yl)phenyl]cyclopentane-1,3-dicarboxamide?
The IUPAC name of (1R,3S,4S)-4-hydroxy-1-N-[4-(2-oxopyrazin-1-yl)phenyl]cyclopentane-1,3-dicarboxamide (CID 68683077) is (1R,3S,4S)-4-hydroxy-1-N-[4-(2-oxopyrazin-1-yl)phenyl]cyclopentane-1,3-dicarboxamide.
What is the SMILES notation for (1R,3S,4S)-4-hydroxy-1-N-[4-(2-oxopyrazin-1-yl)phenyl]cyclopentane-1,3-dicarboxamide?
The canonical SMILES for (1R,3S,4S)-4-hydroxy-1-N-[4-(2-oxopyrazin-1-yl)phenyl]cyclopentane-1,3-dicarboxamide is NC(=O)[C@H]1C[C@@H](C(=O)Nc2ccc(-n3ccncc3=O)cc2)C[C@@H]1O.
What is the InChIKey of (1R,3S,4S)-4-hydroxy-1-N-[4-(2-oxopyrazin-1-yl)phenyl]cyclopentane-1,3-dicarboxamide?
The InChIKey is VCOIMPVYJAFMJG-SWHYSGLUSA-N. The full InChI is InChI=1S/C17H18N4O4/c18-16(24)13-7-10(8-14(13)22)17(25)20-11-1-3-12(4-2-11)21-6-5-19-9-15(21)23/h1-6,9-10,13-14,22H,7-8H2,(H2,18,24)(H,20,25)/t10-,13+,14+/m1/s1.
What are the key properties of (1R,3S,4S)-4-hydroxy-1-N-[4-(2-oxopyrazin-1-yl)phenyl]cyclopentane-1,3-dicarboxamide?
(1R,3S,4S)-4-hydroxy-1-N-[4-(2-oxopyrazin-1-yl)phenyl]cyclopentane-1,3-dicarboxamide has a molecular weight of 342.36 g/mol, XLogP of 0.04, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S,4S)-4-hydroxy-1-N-[4-(2-oxopyrazin-1-yl)phenyl]cyclopentane-1,3-dicarboxamide is sourced from PubChem (CID 68683077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).