N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-5-methylpyrazine-2-carboxamide

C20H24N4O2 — CID 70767046

IUPACN-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-5-methylpyrazine-2-carboxamide
SMILESCO[C@H]1[C@H](NC(=O)c2cnc(C)cn2)c2ccccc2C12CCNCC2
InChIInChI=1S/C20H24N4O2/c1-13-11-23-16(12-22-13)19(25)24-17-14-5-3-4-6-15(14)20(18(17)26-2)7-9-21-10-8-20/h3-6,11-12,17-18,21H,7-10H2,1-2H3,(H,24,25)/t17-,18+/m1/s1
InChIKeyBKJHPGZSDFLQNY-MSOLQXFVSA-N
MW352.44 g/mol
LogP1.91
Rot. Bonds3

About N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-5-methylpyrazine-2-carboxamide

N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-5-methylpyrazine-2-carboxamide (PubChem CID 70767046) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-5-methylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-5-methylpyrazine-2-carboxamide
PubChem CID70767046
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC NameN-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-5-methylpyrazine-2-carboxamide
SMILESCO[C@H]1[C@H](NC(=O)c2cnc(C)cn2)c2ccccc2C12CCNCC2
InChIInChI=1S/C20H24N4O2/c1-13-11-23-16(12-22-13)19(25)24-17-14-5-3-4-6-15(14)20(18(17)26-2)7-9-21-10-8-20/h3-6,11-12,17-18,21H,7-10H2,1-2H3,(H,24,25)/t17-,18+/m1/s1
InChIKeyBKJHPGZSDFLQNY-MSOLQXFVSA-N
XLogP1.91
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-5-methylpyrazine-2-carboxamide?
The IUPAC name of N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-5-methylpyrazine-2-carboxamide (CID 70767046) is N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-5-methylpyrazine-2-carboxamide.
What is the SMILES notation for N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-5-methylpyrazine-2-carboxamide?
The canonical SMILES for N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-5-methylpyrazine-2-carboxamide is CO[C@H]1[C@H](NC(=O)c2cnc(C)cn2)c2ccccc2C12CCNCC2.
What is the InChIKey of N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-5-methylpyrazine-2-carboxamide?
The InChIKey is BKJHPGZSDFLQNY-MSOLQXFVSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-13-11-23-16(12-22-13)19(25)24-17-14-5-3-4-6-15(14)20(18(17)26-2)7-9-21-10-8-20/h3-6,11-12,17-18,21H,7-10H2,1-2H3,(H,24,25)/t17-,18+/m1/s1.
What are the key properties of N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-5-methylpyrazine-2-carboxamide?
N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-5-methylpyrazine-2-carboxamide has a molecular weight of 352.44 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-5-methylpyrazine-2-carboxamide is sourced from PubChem (CID 70767046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).