N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-1-methyl-2-oxopyridine-3-carboxamide

C18H20N2O3 — CID 91631274

IUPACN-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-1-methyl-2-oxopyridine-3-carboxamide
SMILESCOC1(CNC(=O)c2cccn(C)c2=O)Cc2ccccc2C1
InChIInChI=1S/C18H20N2O3/c1-20-9-5-8-15(17(20)22)16(21)19-12-18(23-2)10-13-6-3-4-7-14(13)11-18/h3-9H,10-12H2,1-2H3,(H,19,21)
InChIKeyQRTSZZUFEAZDGA-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.30
Rot. Bonds4

About N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-1-methyl-2-oxopyridine-3-carboxamide

N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-1-methyl-2-oxopyridine-3-carboxamide (PubChem CID 91631274) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-1-methyl-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-1-methyl-2-oxopyridine-3-carboxamide
PubChem CID91631274
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC NameN-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-1-methyl-2-oxopyridine-3-carboxamide
SMILESCOC1(CNC(=O)c2cccn(C)c2=O)Cc2ccccc2C1
InChIInChI=1S/C18H20N2O3/c1-20-9-5-8-15(17(20)22)16(21)19-12-18(23-2)10-13-6-3-4-7-14(13)11-18/h3-9H,10-12H2,1-2H3,(H,19,21)
InChIKeyQRTSZZUFEAZDGA-UHFFFAOYSA-N
XLogP1.30
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-((2-methoxy-2,3-dihydro-1H-inden-2-yl)methyl)pivalamide
CID 91631261
N-((2-methoxy-2,3-dihydro-1H-inden-2-yl)methyl)cyclohex-3-enecarboxamide
CID 91631310
N1-((2-methoxy-2,3-dihydro-1H-inden-2-yl)methyl)oxalamide
CID 91631365
N-[(2-methoxy-2,3-dihydro-1H-inden-2-yl)methyl]acetamide
CID 91631256
N-[(2-methoxy-2,3-dihydro-1H-inden-2-yl)methyl]-3-methylbutanamide
CID 91631260
N-((2-methoxy-2,3-dihydro-1H-inden-2-yl)methyl)cinnamamide
CID 91631272
N-((2-hydroxy-2,3-dihydro-1H-inden-2-yl)methyl)-1-methyl-2-oxo-1,2-dihydropyridine-3-carboxamide
CID 92125252
N-((2-methoxy-2,3-dihydro-1H-inden-2-yl)methyl)propionamide
CID 92125636
N-((2-methoxy-2,3-dihydro-1H-inden-2-yl)methyl)butyramide
CID 92125637
N-((2-methoxy-2,3-dihydro-1H-inden-2-yl)methyl)isobutyramide
CID 92125638
N-((2-methoxy-2,3-dihydro-1H-inden-2-yl)methyl)pent-4-enamide
CID 92125640
2-ethyl-N-((2-methoxy-2,3-dihydro-1H-inden-2-yl)methyl)butanamide
CID 92125641

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-1-methyl-2-oxopyridine-3-carboxamide?
The IUPAC name of N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-1-methyl-2-oxopyridine-3-carboxamide (CID 91631274) is N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-1-methyl-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-1-methyl-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-1-methyl-2-oxopyridine-3-carboxamide is COC1(CNC(=O)c2cccn(C)c2=O)Cc2ccccc2C1.
What is the InChIKey of N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-1-methyl-2-oxopyridine-3-carboxamide?
The InChIKey is QRTSZZUFEAZDGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-20-9-5-8-15(17(20)22)16(21)19-12-18(23-2)10-13-6-3-4-7-14(13)11-18/h3-9H,10-12H2,1-2H3,(H,19,21).
What are the key properties of N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-1-methyl-2-oxopyridine-3-carboxamide?
N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-1-methyl-2-oxopyridine-3-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-1-methyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 91631274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).