5-chloro-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyrazine-2-carboxamide

C14H12ClN3O2 — CID 107258059

IUPAC5-chloro-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyrazine-2-carboxamide
SMILESO=C(N[C@H]1c2ccccc2C[C@H]1O)c1cnc(Cl)cn1
InChIInChI=1S/C14H12ClN3O2/c15-12-7-16-10(6-17-12)14(20)18-13-9-4-2-1-3-8(9)5-11(13)19/h1-4,6-7,11,13,19H,5H2,(H,18,20)/t11-,13+/m1/s1
InChIKeyKKPKAIGKSRSUOY-YPMHNXCESA-N
MW289.72 g/mol
LogP1.52
Rot. Bonds2

About 5-chloro-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyrazine-2-carboxamide

5-chloro-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyrazine-2-carboxamide (PubChem CID 107258059) has the molecular formula C14H12ClN3O2 and a molecular weight of 289.72 g/mol. Its IUPAC name is 5-chloro-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyrazine-2-carboxamide
PubChem CID107258059
Molecular FormulaC14H12ClN3O2
Molecular Weight289.72 g/mol
Exact Mass289.06
IUPAC Name5-chloro-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyrazine-2-carboxamide
SMILESO=C(N[C@H]1c2ccccc2C[C@H]1O)c1cnc(Cl)cn1
InChIInChI=1S/C14H12ClN3O2/c15-12-7-16-10(6-17-12)14(20)18-13-9-4-2-1-3-8(9)5-11(13)19/h1-4,6-7,11,13,19H,5H2,(H,18,20)/t11-,13+/m1/s1
InChIKeyKKPKAIGKSRSUOY-YPMHNXCESA-N
XLogP1.52
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.72
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-chloro-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]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

6-chloro-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyrazine-2-carboxamide
CID 106551559
6-chloro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide
CID 103816930
5-(aminomethyl)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide
CID 107211881
2-chloro-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyridine-3-carboxamide
CID 103869650
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-1-methylpyrazole-3-carboxamide
CID 103862965
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyrimidine-5-carboxamide
CID 104629828
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)thiadiazole-4-carboxamide
CID 65216329
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-phenylpyrimidine-5-carboxamide
CID 111658856
2,3-difluoro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyridine-4-carboxamide
CID 103337662
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methyl-1,3-thiazole-5-carboxamide
CID 103860624
5-chloro-2-fluoro-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide
CID 103816845
5-cyclopropyl-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-1,2-oxazole-3-carboxamide
CID 61368931

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyrazine-2-carboxamide?
The IUPAC name of 5-chloro-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyrazine-2-carboxamide (CID 107258059) is 5-chloro-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyrazine-2-carboxamide?
The canonical SMILES for 5-chloro-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyrazine-2-carboxamide is O=C(N[C@H]1c2ccccc2C[C@H]1O)c1cnc(Cl)cn1.
What is the InChIKey of 5-chloro-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyrazine-2-carboxamide?
The InChIKey is KKPKAIGKSRSUOY-YPMHNXCESA-N. The full InChI is InChI=1S/C14H12ClN3O2/c15-12-7-16-10(6-17-12)14(20)18-13-9-4-2-1-3-8(9)5-11(13)19/h1-4,6-7,11,13,19H,5H2,(H,18,20)/t11-,13+/m1/s1.
What are the key properties of 5-chloro-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyrazine-2-carboxamide?
5-chloro-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyrazine-2-carboxamide has a molecular weight of 289.72 g/mol, XLogP of 1.52, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 107258059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).