4-[3-(5-cyano-3-methylpentanoyl)-2,8-dimethyl-5-oxo-4,6-dihydro-1H-1,6-naphthyridin-4-yl]-3-methoxybenzonitrile

C25H26N4O3 — CID 169246647

IUPAC4-[3-(5-cyano-3-methylpentanoyl)-2,8-dimethyl-5-oxo-4,6-dihydro-1H-1,6-naphthyridin-4-yl]-3-methoxybenzonitrile
SMILESCOc1cc(C#N)ccc1C1C(C(=O)CC(C)CCC#N)=C(C)Nc2c(C)c[nH]c(=O)c21
InChIInChI=1S/C25H26N4O3/c1-14(6-5-9-26)10-19(30)21-16(3)29-24-15(2)13-28-25(31)23(24)22(21)18-8-7-17(12-27)11-20(18)32-4/h7-8,11,13-14,22,29H,5-6,10H2,1-4H3,(H,28,31)
InChIKeyOQSVHHDAIPROST-UHFFFAOYSA-N
MW430.51 g/mol
LogP4.29
Rot. Bonds7

About 4-[3-(5-cyano-3-methylpentanoyl)-2,8-dimethyl-5-oxo-4,6-dihydro-1H-1,6-naphthyridin-4-yl]-3-methoxybenzonitrile

4-[3-(5-cyano-3-methylpentanoyl)-2,8-dimethyl-5-oxo-4,6-dihydro-1H-1,6-naphthyridin-4-yl]-3-methoxybenzonitrile (PubChem CID 169246647) has the molecular formula C25H26N4O3 and a molecular weight of 430.51 g/mol. Its IUPAC name is 4-[3-(5-cyano-3-methylpentanoyl)-2,8-dimethyl-5-oxo-4,6-dihydro-1H-1,6-naphthyridin-4-yl]-3-methoxybenzonitrile.

Molecular Properties

Compound Name4-[3-(5-cyano-3-methylpentanoyl)-2,8-dimethyl-5-oxo-4,6-dihydro-1H-1,6-naphthyridin-4-yl]-3-methoxybenzonitrile
PubChem CID169246647
Molecular FormulaC25H26N4O3
Molecular Weight430.51 g/mol
Exact Mass430.20
IUPAC Name4-[3-(5-cyano-3-methylpentanoyl)-2,8-dimethyl-5-oxo-4,6-dihydro-1H-1,6-naphthyridin-4-yl]-3-methoxybenzonitrile
SMILESCOc1cc(C#N)ccc1C1C(C(=O)CC(C)CCC#N)=C(C)Nc2c(C)c[nH]c(=O)c21
InChIInChI=1S/C25H26N4O3/c1-14(6-5-9-26)10-19(30)21-16(3)29-24-15(2)13-28-25(31)23(24)22(21)18-8-7-17(12-27)11-20(18)32-4/h7-8,11,13-14,22,29H,5-6,10H2,1-4H3,(H,28,31)
InChIKeyOQSVHHDAIPROST-UHFFFAOYSA-N
XLogP4.29
TPSA118.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[3-(5-cyano-3-methylpentanoyl)-2,8-dimethyl-5-oxo-4,6-dihydro-1H-1,6-naphthyridin-4-yl]-3-methoxybenzonitrile with MolForge

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Related Compounds

benzyl 4-(4-cyano-2-methoxyphenyl)-2,8-dimethyl-5-oxo-4,6-dihydro-1H-1,6-naphthyridine-3-carboxylate;methane
CID 171504445
2-cyanoethyl 6-(4-cyano-2-methoxyphenyl)-8-methyl-5-oxo-6,9-dihydro-4H-thieno[3,2-h][1,6]naphthyridine-7-carboxylate
CID 170742222
4-(4-cyano-2-methoxyphenyl)-5-ethoxy-8-methyl-2-(113C)methyl-1,4-dihydro-1,6-naphthyridine-3-carboxylic acid
CID 169436770
4-(4-cyano-2-methoxyphenyl)-5-ethoxy-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxamide;ethane
CID 177026828
(4R)-5-[(1-cyanocyclopropyl)methoxy]-4-(4-cyano-2-methoxyphenyl)-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxamide
CID 156577502
(4S)-4-(4-cyano-2-methoxyphenyl)-5-ethoxy-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxamide;(2R,3R)-2,3-dihydroxybutanedioic acid
CID 172970343
(4S)-4-(4-cyano-2-methoxyphenyl)-5-ethoxy-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxamide;propanoic acid
CID 172970369
4-(4-cyano-2-methoxyphenyl)-5-ethoxy-2,8-dimethyl-N,N-bis(trimethylsilyl)-1,4-dihydro-1,6-naphthyridine-3-carboxamide
CID 140801148
(4R)-4-(4-cyano-2-methoxyphenyl)-2,8-dimethyl-5-[(1-methylcyclopropyl)methoxy]-1,4-dihydro-1,6-naphthyridine-3-carboxamide
CID 156577422
(2,5-dioxopyrrolidin-1-yl) 4-(4-cyano-2-methoxyphenyl)-5-ethoxy-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxylate
CID 177026815
(4R)-4-(4-cyano-2-methoxyphenyl)-5-[(2-fluoro-2-methylcyclopropyl)methoxy]-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxamide
CID 160788831
2-isocyanoethyl (4S)-4-(4-cyano-2-methoxyphenyl)-5-ethoxy-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxylate
CID 176870998

Frequently Asked Questions

What is the IUPAC name of 4-[3-(5-cyano-3-methylpentanoyl)-2,8-dimethyl-5-oxo-4,6-dihydro-1H-1,6-naphthyridin-4-yl]-3-methoxybenzonitrile?
The IUPAC name of 4-[3-(5-cyano-3-methylpentanoyl)-2,8-dimethyl-5-oxo-4,6-dihydro-1H-1,6-naphthyridin-4-yl]-3-methoxybenzonitrile (CID 169246647) is 4-[3-(5-cyano-3-methylpentanoyl)-2,8-dimethyl-5-oxo-4,6-dihydro-1H-1,6-naphthyridin-4-yl]-3-methoxybenzonitrile.
What is the SMILES notation for 4-[3-(5-cyano-3-methylpentanoyl)-2,8-dimethyl-5-oxo-4,6-dihydro-1H-1,6-naphthyridin-4-yl]-3-methoxybenzonitrile?
The canonical SMILES for 4-[3-(5-cyano-3-methylpentanoyl)-2,8-dimethyl-5-oxo-4,6-dihydro-1H-1,6-naphthyridin-4-yl]-3-methoxybenzonitrile is COc1cc(C#N)ccc1C1C(C(=O)CC(C)CCC#N)=C(C)Nc2c(C)c[nH]c(=O)c21.
What is the InChIKey of 4-[3-(5-cyano-3-methylpentanoyl)-2,8-dimethyl-5-oxo-4,6-dihydro-1H-1,6-naphthyridin-4-yl]-3-methoxybenzonitrile?
The InChIKey is OQSVHHDAIPROST-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3/c1-14(6-5-9-26)10-19(30)21-16(3)29-24-15(2)13-28-25(31)23(24)22(21)18-8-7-17(12-27)11-20(18)32-4/h7-8,11,13-14,22,29H,5-6,10H2,1-4H3,(H,28,31).
What are the key properties of 4-[3-(5-cyano-3-methylpentanoyl)-2,8-dimethyl-5-oxo-4,6-dihydro-1H-1,6-naphthyridin-4-yl]-3-methoxybenzonitrile?
4-[3-(5-cyano-3-methylpentanoyl)-2,8-dimethyl-5-oxo-4,6-dihydro-1H-1,6-naphthyridin-4-yl]-3-methoxybenzonitrile has a molecular weight of 430.51 g/mol, XLogP of 4.29, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(5-cyano-3-methylpentanoyl)-2,8-dimethyl-5-oxo-4,6-dihydro-1H-1,6-naphthyridin-4-yl]-3-methoxybenzonitrile is sourced from PubChem (CID 169246647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).