3-(4-methoxy-3-methylbenzoyl)-6,7-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]-1,8-naphthyridin-4-one;N-methoxy-N,6,7-trimethyl-1-[(6-methyl-2-pyridinyl)methyl]-4-oxo-1,8-naphthyridine-3-carboxamide

C46H47N7O6 — CID 159178505

IUPAC3-(4-methoxy-3-methylbenzoyl)-6,7-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]-1,8-naphthyridin-4-one;N-methoxy-N,6,7-trimethyl-1-[(6-methyl-2-pyridinyl)methyl]-4-oxo-1,8-naphthyridine-3-carboxamide
SMILESCON(C)C(=O)c1cn(Cc2cccc(C)n2)c2nc(C)c(C)cc2c1=O.COc1ccc(C(=O)c2cn(Cc3cccc(C)n3)c3nc(C)c(C)cc3c2=O)cc1C
InChIInChI=1S/C26H25N3O3.C20H22N4O3/c1-15-12-21-25(31)22(24(30)19-9-10-23(32-5)16(2)11-19)14-29(26(21)28-18(15)4)13-20-8-6-7-17(3)27-20;1-12-9-16-18(25)17(20(26)23(4)27-5)11-24(19(16)22-14(12)3)10-15-8-6-7-13(2)21-15/h6-12,14H,13H2,1-5H3;6-9,11H,10H2,1-5H3
InChIKeyKMOVOVNKWMTTSK-UHFFFAOYSA-N
MW793.93 g/mol
LogP6.71
Rot. Bonds9

About 3-(4-methoxy-3-methylbenzoyl)-6,7-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]-1,8-naphthyridin-4-one;N-methoxy-N,6,7-trimethyl-1-[(6-methyl-2-pyridinyl)methyl]-4-oxo-1,8-naphthyridine-3-carboxamide

3-(4-methoxy-3-methylbenzoyl)-6,7-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]-1,8-naphthyridin-4-one;N-methoxy-N,6,7-trimethyl-1-[(6-methyl-2-pyridinyl)methyl]-4-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 159178505) has the molecular formula C46H47N7O6 and a molecular weight of 793.93 g/mol. Its IUPAC name is 3-(4-methoxy-3-methylbenzoyl)-6,7-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]-1,8-naphthyridin-4-one;N-methoxy-N,6,7-trimethyl-1-[(6-methyl-2-pyridinyl)methyl]-4-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name3-(4-methoxy-3-methylbenzoyl)-6,7-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]-1,8-naphthyridin-4-one;N-methoxy-N,6,7-trimethyl-1-[(6-methyl-2-pyridinyl)methyl]-4-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID159178505
Molecular FormulaC46H47N7O6
Molecular Weight793.93 g/mol
Exact Mass793.36
IUPAC Name3-(4-methoxy-3-methylbenzoyl)-6,7-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]-1,8-naphthyridin-4-one;N-methoxy-N,6,7-trimethyl-1-[(6-methyl-2-pyridinyl)methyl]-4-oxo-1,8-naphthyridine-3-carboxamide
SMILESCON(C)C(=O)c1cn(Cc2cccc(C)n2)c2nc(C)c(C)cc2c1=O.COc1ccc(C(=O)c2cn(Cc3cccc(C)n3)c3nc(C)c(C)cc3c2=O)cc1C
InChIInChI=1S/C26H25N3O3.C20H22N4O3/c1-15-12-21-25(31)22(24(30)19-9-10-23(32-5)16(2)11-19)14-29(26(21)28-18(15)4)13-20-8-6-7-17(3)27-20;1-12-9-16-18(25)17(20(26)23(4)27-5)11-24(19(16)22-14(12)3)10-15-8-6-7-13(2)21-15/h6-12,14H,13H2,1-5H3;6-9,11H,10H2,1-5H3
InChIKeyKMOVOVNKWMTTSK-UHFFFAOYSA-N
XLogP6.71
TPSA151.40 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms59
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500793.93
LogP ≤ 56.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-(4-methoxy-3-methylbenzoyl)-6,7-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]-1,8-naphthyridin-4-one;N-methoxy-N,6,7-trimethyl-1-[(6-methyl-2-pyridinyl)methyl]-4-oxo-1,8-naphthyridine-3-carboxamide with MolForge

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Related Compounds

(4-Methoxy-3-(pyridin-2-ylethynyl)phenyl)(4-(5-methylpyridin-2-yl)piperazin-1-yl)methanone
CID 44516014
(4-Methoxy-3-(pyridin-2-ylethynyl)phenyl)(4-(pyridin-2-yl)piperazin-1-yl)methanone
CID 50942116
(4-Methoxy-3-((6-methylpyridin-2-yl)ethynyl)phenyl)(4-(pyridin-2-yl)piperazin-1-yl)methanone
CID 53323847
[2-(Dimethylamino)-6-(2-methoxy-5-propan-2-ylphenyl)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 172437879
1-[2-Amino-6-[[1-[6-(2-methoxyphenyl)-3-(4-propan-2-ylpiperazine-1-carbonyl)pyridin-2-yl]piperidin-3-yl]amino]pyridin-3-yl]-2,2,2-trifluoroethanone
CID 44625595
2-[3-[[6-amino-5-(2,2,2-trifluoroacetyl)pyridin-2-yl]amino]piperidin-1-yl]-6-(2-methoxyphenyl)-N-[(1-propan-2-ylpiperidin-4-yl)methyl]pyridine-3-carboxamide
CID 44625596
1-[2-Amino-6-[[1-[3-(4,4-difluoropiperidine-1-carbonyl)-6-(2-methoxyphenyl)pyridin-2-yl]piperidin-3-yl]amino]pyridin-3-yl]-2,2,2-trifluoroethanone
CID 44625597
2-[3-[[6-amino-5-(2,2,2-trifluoroacetyl)pyridin-2-yl]amino]piperidin-1-yl]-6-(2-methoxyphenyl)-N-methyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]pyridine-3-carboxamide
CID 44625598
3-(3-Fluoro-4-methoxy-benzoyl)-6,7-dimethyl-1-(6-methyl-pyridin-2-ylmethyl)-1H-[1,8]naphthyridin-4-one
CID 57754635
3-(4-Methoxy-3-methyl-benzoyl)-1-(6-trifluoromethyl-pyridin-2-ylmethyl)-1H-[1,8]naphthyridin-4-one
CID 57754685
2,2,2-Trifluoro-N-{6-[3-(4-methoxy-3-methyl-benzoyl)-4-oxo-4H-quinolin-1-ylmethyl]-pyridin-2-yl}-acetamide
CID 57754779
3-(3-Fluoro-4-methoxybenzoyl)-1-[(6-methyl-2-pyridinyl)methyl]-1,8-naphthyridin-4-one
CID 57754790

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxy-3-methylbenzoyl)-6,7-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]-1,8-naphthyridin-4-one;N-methoxy-N,6,7-trimethyl-1-[(6-methyl-2-pyridinyl)methyl]-4-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 3-(4-methoxy-3-methylbenzoyl)-6,7-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]-1,8-naphthyridin-4-one;N-methoxy-N,6,7-trimethyl-1-[(6-methyl-2-pyridinyl)methyl]-4-oxo-1,8-naphthyridine-3-carboxamide (CID 159178505) is 3-(4-methoxy-3-methylbenzoyl)-6,7-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]-1,8-naphthyridin-4-one;N-methoxy-N,6,7-trimethyl-1-[(6-methyl-2-pyridinyl)methyl]-4-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 3-(4-methoxy-3-methylbenzoyl)-6,7-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]-1,8-naphthyridin-4-one;N-methoxy-N,6,7-trimethyl-1-[(6-methyl-2-pyridinyl)methyl]-4-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 3-(4-methoxy-3-methylbenzoyl)-6,7-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]-1,8-naphthyridin-4-one;N-methoxy-N,6,7-trimethyl-1-[(6-methyl-2-pyridinyl)methyl]-4-oxo-1,8-naphthyridine-3-carboxamide is CON(C)C(=O)c1cn(Cc2cccc(C)n2)c2nc(C)c(C)cc2c1=O.COc1ccc(C(=O)c2cn(Cc3cccc(C)n3)c3nc(C)c(C)cc3c2=O)cc1C.
What is the InChIKey of 3-(4-methoxy-3-methylbenzoyl)-6,7-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]-1,8-naphthyridin-4-one;N-methoxy-N,6,7-trimethyl-1-[(6-methyl-2-pyridinyl)methyl]-4-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is KMOVOVNKWMTTSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O3.C20H22N4O3/c1-15-12-21-25(31)22(24(30)19-9-10-23(32-5)16(2)11-19)14-29(26(21)28-18(15)4)13-20-8-6-7-17(3)27-20;1-12-9-16-18(25)17(20(26)23(4)27-5)11-24(19(16)22-14(12)3)10-15-8-6-7-13(2)21-15/h6-12,14H,13H2,1-5H3;6-9,11H,10H2,1-5H3.
What are the key properties of 3-(4-methoxy-3-methylbenzoyl)-6,7-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]-1,8-naphthyridin-4-one;N-methoxy-N,6,7-trimethyl-1-[(6-methyl-2-pyridinyl)methyl]-4-oxo-1,8-naphthyridine-3-carboxamide?
3-(4-methoxy-3-methylbenzoyl)-6,7-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]-1,8-naphthyridin-4-one;N-methoxy-N,6,7-trimethyl-1-[(6-methyl-2-pyridinyl)methyl]-4-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 793.93 g/mol, XLogP of 6.71, 9 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxy-3-methylbenzoyl)-6,7-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]-1,8-naphthyridin-4-one;N-methoxy-N,6,7-trimethyl-1-[(6-methyl-2-pyridinyl)methyl]-4-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 159178505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).