4,6-dimethyl-2-oxo-N-[[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]-1H-pyridine-3-carboxamide

C20H22N2O2 — CID 97051904

IUPAC4,6-dimethyl-2-oxo-N-[[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]-1H-pyridine-3-carboxamide
SMILESCc1cc(C)c(C(=O)NC[C@H]2C[C@]23CCc2ccccc23)c(=O)[nH]1
InChIInChI=1S/C20H22N2O2/c1-12-9-13(2)22-19(24)17(12)18(23)21-11-15-10-20(15)8-7-14-5-3-4-6-16(14)20/h3-6,9,15H,7-8,10-11H2,1-2H3,(H,21,23)(H,22,24)/t15-,20-/m1/s1
InChIKeyYISKONGOFOTCMD-FOIQADDNSA-N
MW322.41 g/mol
LogP2.63
Rot. Bonds3

About 4,6-dimethyl-2-oxo-N-[[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]-1H-pyridine-3-carboxamide

4,6-dimethyl-2-oxo-N-[[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]-1H-pyridine-3-carboxamide (PubChem CID 97051904) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 4,6-dimethyl-2-oxo-N-[[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name4,6-dimethyl-2-oxo-N-[[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]-1H-pyridine-3-carboxamide
PubChem CID97051904
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name4,6-dimethyl-2-oxo-N-[[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]-1H-pyridine-3-carboxamide
SMILESCc1cc(C)c(C(=O)NC[C@H]2C[C@]23CCc2ccccc23)c(=O)[nH]1
InChIInChI=1S/C20H22N2O2/c1-12-9-13(2)22-19(24)17(12)18(23)21-11-15-10-20(15)8-7-14-5-3-4-6-16(14)20/h3-6,9,15H,7-8,10-11H2,1-2H3,(H,21,23)(H,22,24)/t15-,20-/m1/s1
InChIKeyYISKONGOFOTCMD-FOIQADDNSA-N
XLogP2.63
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-N-[[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]furan-2-carboxamide
CID 97051941
4-oxo-N-[[(1'R,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]-3H-phthalazine-1-carboxamide
CID 97053263
4-oxo-N-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethyl)-3H-phthalazine-1-carboxamide
CID 86769560
N-[[(1'R,3S)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]-1H-pyrazole-5-carboxamide
CID 97051911
N-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethyl)furan-3-carboxamide
CID 71972459
N-[[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]pyridine-3-carboxamide
CID 97051894
1-cyclopropyl-3-[[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]urea
CID 97050624
N-[(4-hydroxycyclohexyl)methyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 106123427
3-methyl-N-[[(1'R,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 97051922
7-methyl-N-[[(1'R,3S)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 97073175
1-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-3-[[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]urea
CID 100579847
3-(dimethylsulfamoyl)-N-[[(1'R,3S)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]propanamide
CID 98566487

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-oxo-N-[[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]-1H-pyridine-3-carboxamide?
The IUPAC name of 4,6-dimethyl-2-oxo-N-[[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]-1H-pyridine-3-carboxamide (CID 97051904) is 4,6-dimethyl-2-oxo-N-[[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]-1H-pyridine-3-carboxamide.
What is the SMILES notation for 4,6-dimethyl-2-oxo-N-[[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]-1H-pyridine-3-carboxamide?
The canonical SMILES for 4,6-dimethyl-2-oxo-N-[[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]-1H-pyridine-3-carboxamide is Cc1cc(C)c(C(=O)NC[C@H]2C[C@]23CCc2ccccc23)c(=O)[nH]1.
What is the InChIKey of 4,6-dimethyl-2-oxo-N-[[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]-1H-pyridine-3-carboxamide?
The InChIKey is YISKONGOFOTCMD-FOIQADDNSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-12-9-13(2)22-19(24)17(12)18(23)21-11-15-10-20(15)8-7-14-5-3-4-6-16(14)20/h3-6,9,15H,7-8,10-11H2,1-2H3,(H,21,23)(H,22,24)/t15-,20-/m1/s1.
What are the key properties of 4,6-dimethyl-2-oxo-N-[[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]-1H-pyridine-3-carboxamide?
4,6-dimethyl-2-oxo-N-[[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]-1H-pyridine-3-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-oxo-N-[[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]-1H-pyridine-3-carboxamide is sourced from PubChem (CID 97051904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).