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

C14H12ClN3O2 — CID 106551559

IUPAC6-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)c1cncc(Cl)n1
InChIInChI=1S/C14H12ClN3O2/c15-12-7-16-6-10(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
InChIKeyAHWLNQIDZYNEPM-YPMHNXCESA-N
MW289.72 g/mol
LogP1.52
Rot. Bonds2

About 6-chloro-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyrazine-2-carboxamide

6-chloro-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyrazine-2-carboxamide (PubChem CID 106551559) has the molecular formula C14H12ClN3O2 and a molecular weight of 289.72 g/mol. Its IUPAC name is 6-chloro-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyrazine-2-carboxamide
PubChem CID106551559
Molecular FormulaC14H12ClN3O2
Molecular Weight289.72 g/mol
Exact Mass289.06
IUPAC Name6-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)c1cncc(Cl)n1
InChIInChI=1S/C14H12ClN3O2/c15-12-7-16-6-10(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
InChIKeyAHWLNQIDZYNEPM-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

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Related Compounds

6-chloro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide
CID 103816930
5-chloro-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyrazine-2-carboxamide
CID 107258059
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyrimidine-5-carboxamide
CID 104629828
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-1-methylpyrazole-3-carboxamide
CID 103862965
5-(aminomethyl)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide
CID 107211881
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)thiadiazole-4-carboxamide
CID 65216329
3-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyridine-4-carboxamide
CID 103863026
2-chloro-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyridine-3-carboxamide
CID 103869650
5-chloro-2-fluoro-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide
CID 103816845
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-phenylpyrimidine-5-carboxamide
CID 111658856
5-cyclopropyl-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-1,2-oxazole-3-carboxamide
CID 61368931
1-chloro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]imidazo[1,5-a]pyridine-3-carboxamide
CID 70943936

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyrazine-2-carboxamide?
The IUPAC name of 6-chloro-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyrazine-2-carboxamide (CID 106551559) is 6-chloro-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyrazine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyrazine-2-carboxamide?
The canonical SMILES for 6-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)c1cncc(Cl)n1.
What is the InChIKey of 6-chloro-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyrazine-2-carboxamide?
The InChIKey is AHWLNQIDZYNEPM-YPMHNXCESA-N. The full InChI is InChI=1S/C14H12ClN3O2/c15-12-7-16-6-10(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 6-chloro-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyrazine-2-carboxamide?
6-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 6-chloro-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 106551559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).