N-[2,3-dihydroxy-5-(2-methylphenyl)cyclopentyl]pyrazine-2-carboxamide

C17H19N3O3 — CID 78150805

IUPACN-[2,3-dihydroxy-5-(2-methylphenyl)cyclopentyl]pyrazine-2-carboxamide
SMILESCc1ccccc1C1CC(O)C(O)C1NC(=O)c1cnccn1
InChIInChI=1S/C17H19N3O3/c1-10-4-2-3-5-11(10)12-8-14(21)16(22)15(12)20-17(23)13-9-18-6-7-19-13/h2-7,9,12,14-16,21-22H,8H2,1H3,(H,20,23)
InChIKeyGNVLKMAVLBAZRK-UHFFFAOYSA-N
MW313.36 g/mol
LogP0.79
Rot. Bonds3

About N-[2,3-dihydroxy-5-(2-methylphenyl)cyclopentyl]pyrazine-2-carboxamide

N-[2,3-dihydroxy-5-(2-methylphenyl)cyclopentyl]pyrazine-2-carboxamide (PubChem CID 78150805) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is N-[2,3-dihydroxy-5-(2-methylphenyl)cyclopentyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2,3-dihydroxy-5-(2-methylphenyl)cyclopentyl]pyrazine-2-carboxamide
PubChem CID78150805
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC NameN-[2,3-dihydroxy-5-(2-methylphenyl)cyclopentyl]pyrazine-2-carboxamide
SMILESCc1ccccc1C1CC(O)C(O)C1NC(=O)c1cnccn1
InChIInChI=1S/C17H19N3O3/c1-10-4-2-3-5-11(10)12-8-14(21)16(22)15(12)20-17(23)13-9-18-6-7-19-13/h2-7,9,12,14-16,21-22H,8H2,1H3,(H,20,23)
InChIKeyGNVLKMAVLBAZRK-UHFFFAOYSA-N
XLogP0.79
TPSA95.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[2,3-dihydroxy-5-(2-methylphenyl)cyclopentyl]pyrazine-2-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

N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-(2-methylphenyl)cyclopentyl]-2-methylpropanamide
CID 75367130
N'-(2-methylbenzoyl)pyrazine-2-carbohydrazide
CID 793891
N-(2,3-dimethylphenyl)pyrazine-2-carboxamide
CID 694797
N-(4,4-dimethylcyclohexyl)pyrazine-2-carboxamide
CID 130233496
3-(pyrazine-2-carbonylamino)cyclopentane-1-carboxylic acid
CID 66032324
(1R,2S,3R,4R)-3-(cyclopentylmethylamino)-4-(2-methylphenyl)cyclopentane-1,2-diol
CID 71693831
N-(2-thiophen-2-ylcyclopropyl)pyrazine-2-carboxamide
CID 110741726
N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(methoxymethyl)cyclopentyl]pyrazine-2-carboxamide
CID 75529533
N-(1-tert-butylazetidin-3-yl)pyrazine-2-carboxamide
CID 89460399
N-[(3R,4R)-4-hydroxy-1-[(6-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrazine-2-carboxamide
CID 110133345
N-[(3R,4R)-4-hydroxy-1-[(2-methylpyrimidin-4-yl)methyl]pyrrolidin-3-yl]pyrazine-2-carboxamide
CID 110133335
N-[2-[(2R,4S,6R)-4-acetamido-6-(2-fluorophenyl)oxan-2-yl]ethyl]pyrazine-2-carboxamide
CID 110136179

Frequently Asked Questions

What is the IUPAC name of N-[2,3-dihydroxy-5-(2-methylphenyl)cyclopentyl]pyrazine-2-carboxamide?
The IUPAC name of N-[2,3-dihydroxy-5-(2-methylphenyl)cyclopentyl]pyrazine-2-carboxamide (CID 78150805) is N-[2,3-dihydroxy-5-(2-methylphenyl)cyclopentyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[2,3-dihydroxy-5-(2-methylphenyl)cyclopentyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[2,3-dihydroxy-5-(2-methylphenyl)cyclopentyl]pyrazine-2-carboxamide is Cc1ccccc1C1CC(O)C(O)C1NC(=O)c1cnccn1.
What is the InChIKey of N-[2,3-dihydroxy-5-(2-methylphenyl)cyclopentyl]pyrazine-2-carboxamide?
The InChIKey is GNVLKMAVLBAZRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-10-4-2-3-5-11(10)12-8-14(21)16(22)15(12)20-17(23)13-9-18-6-7-19-13/h2-7,9,12,14-16,21-22H,8H2,1H3,(H,20,23).
What are the key properties of N-[2,3-dihydroxy-5-(2-methylphenyl)cyclopentyl]pyrazine-2-carboxamide?
N-[2,3-dihydroxy-5-(2-methylphenyl)cyclopentyl]pyrazine-2-carboxamide has a molecular weight of 313.36 g/mol, XLogP of 0.79, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,3-dihydroxy-5-(2-methylphenyl)cyclopentyl]pyrazine-2-carboxamide is sourced from PubChem (CID 78150805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).