4-[3,5-dimethoxy-4-(methylaminomethyl)phenyl]-2-methyl-2,7-naphthyridin-1-one

C19H21N3O3 — CID 139370961

IUPAC4-[3,5-dimethoxy-4-(methylaminomethyl)phenyl]-2-methyl-2,7-naphthyridin-1-one
SMILESCNCc1c(OC)cc(-c2cn(C)c(=O)c3cnccc23)cc1OC
InChIInChI=1S/C19H21N3O3/c1-20-9-15-17(24-3)7-12(8-18(15)25-4)16-11-22(2)19(23)14-10-21-6-5-13(14)16/h5-8,10-11,20H,9H2,1-4H3
InChIKeyOKHISWVFOXDTHL-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.34
Rot. Bonds5

About 4-[3,5-dimethoxy-4-(methylaminomethyl)phenyl]-2-methyl-2,7-naphthyridin-1-one

4-[3,5-dimethoxy-4-(methylaminomethyl)phenyl]-2-methyl-2,7-naphthyridin-1-one (PubChem CID 139370961) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 4-[3,5-dimethoxy-4-(methylaminomethyl)phenyl]-2-methyl-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name4-[3,5-dimethoxy-4-(methylaminomethyl)phenyl]-2-methyl-2,7-naphthyridin-1-one
PubChem CID139370961
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name4-[3,5-dimethoxy-4-(methylaminomethyl)phenyl]-2-methyl-2,7-naphthyridin-1-one
SMILESCNCc1c(OC)cc(-c2cn(C)c(=O)c3cnccc23)cc1OC
InChIInChI=1S/C19H21N3O3/c1-20-9-15-17(24-3)7-12(8-18(15)25-4)16-11-22(2)19(23)14-10-21-6-5-13(14)16/h5-8,10-11,20H,9H2,1-4H3
InChIKeyOKHISWVFOXDTHL-UHFFFAOYSA-N
XLogP2.34
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-[(Dimethylamino)methyl]-3,5-Dimethoxy-Phenyl]-2-Methyl-2,7-Naphthyridin-1-One
CID 118796358
BI-9564
CID 117072549
N-[(3-methoxyphenyl)methyl]-5H-[1]benzopyrano[3,4-c]pyridine-8-carboxamide
CID 121363591
N-(1-((2,6-diethoxy-4''-fluorobiphenyl-4-yl)methyl)piperidin-4-yl)-5-methylnicotinamide
CID 46911015
ROCK inhibitor-2
CID 51003130
4-(3-fluoro-4-pyridinyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]benzamide
CID 68513301
2-[(2-aminoethyl)amino]-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-(pyridin-4-yl)benzamide
CID 134823957
N-(2,6-dimethoxybenzyl)-N-methyl-4-(trifluoromethyl)nicotinamide
CID 2727328
N-[3-(3-Methoxy-benzoylamino)-propyl]-nicotinamide
CID 2989253
N-(3-methoxybenzyl)-4-(4-pyridinyl)benzamide
CID 11537005
N-(1-(3-ethoxy-4-methylbenzyl)piperidin-4-yl)-5-methylnicotinamide
CID 49862886
N-(1-((2,6-diethoxy-4''-(trifluoromethoxy)biphenyl-4-yl)methyl)piperidin-4-yl)-5-methylnicotinamide
CID 49862928

Frequently Asked Questions

What is the IUPAC name of 4-[3,5-dimethoxy-4-(methylaminomethyl)phenyl]-2-methyl-2,7-naphthyridin-1-one?
The IUPAC name of 4-[3,5-dimethoxy-4-(methylaminomethyl)phenyl]-2-methyl-2,7-naphthyridin-1-one (CID 139370961) is 4-[3,5-dimethoxy-4-(methylaminomethyl)phenyl]-2-methyl-2,7-naphthyridin-1-one.
What is the SMILES notation for 4-[3,5-dimethoxy-4-(methylaminomethyl)phenyl]-2-methyl-2,7-naphthyridin-1-one?
The canonical SMILES for 4-[3,5-dimethoxy-4-(methylaminomethyl)phenyl]-2-methyl-2,7-naphthyridin-1-one is CNCc1c(OC)cc(-c2cn(C)c(=O)c3cnccc23)cc1OC.
What is the InChIKey of 4-[3,5-dimethoxy-4-(methylaminomethyl)phenyl]-2-methyl-2,7-naphthyridin-1-one?
The InChIKey is OKHISWVFOXDTHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-20-9-15-17(24-3)7-12(8-18(15)25-4)16-11-22(2)19(23)14-10-21-6-5-13(14)16/h5-8,10-11,20H,9H2,1-4H3.
What are the key properties of 4-[3,5-dimethoxy-4-(methylaminomethyl)phenyl]-2-methyl-2,7-naphthyridin-1-one?
4-[3,5-dimethoxy-4-(methylaminomethyl)phenyl]-2-methyl-2,7-naphthyridin-1-one has a molecular weight of 339.40 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,5-dimethoxy-4-(methylaminomethyl)phenyl]-2-methyl-2,7-naphthyridin-1-one is sourced from PubChem (CID 139370961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).