ethane;6-methyl-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-methyl-N-[[3-[[5-[methyl(2-pyridin-2-ylethyl)carbamoyl]-3-pyridinyl]oxy]phenyl]methyl]pyridine-3-carboxamide

C43H55N7O4 — CID 145047361

IUPACethane;6-methyl-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-methyl-N-[[3-[[5-[methyl(2-pyridin-2-ylethyl)carbamoyl]-3-pyridinyl]oxy]phenyl]methyl]pyridine-3-carboxamide
SMILESCC.CC.CC.Cc1cnc2c(c1)CCC(=O)N2.Cc1cncc(C(=O)NCc2cccc(Oc3cncc(C(=O)N(C)CCc4ccccn4)c3)c2)c1
InChIInChI=1S/C28H27N5O3.C9H10N2O.3C2H6/c1-20-12-22(17-29-15-20)27(34)32-16-21-6-5-8-25(13-21)36-26-14-23(18-30-19-26)28(35)33(2)11-9-24-7-3-4-10-31-24;1-6-4-7-2-3-8(12)11-9(7)10-5-6;3*1-2/h3-8,10,12-15,17-19H,9,11,16H2,1-2H3,(H,32,34);4-5H,2-3H2,1H3,(H,10,11,12);3*1-2H3
InChIKeyXXMFSAVEBBJVGE-UHFFFAOYSA-N
MW733.96 g/mol
LogP8.57
Rot. Bonds9

About ethane;6-methyl-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-methyl-N-[[3-[[5-[methyl(2-pyridin-2-ylethyl)carbamoyl]-3-pyridinyl]oxy]phenyl]methyl]pyridine-3-carboxamide

ethane;6-methyl-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-methyl-N-[[3-[[5-[methyl(2-pyridin-2-ylethyl)carbamoyl]-3-pyridinyl]oxy]phenyl]methyl]pyridine-3-carboxamide (PubChem CID 145047361) has the molecular formula C43H55N7O4 and a molecular weight of 733.96 g/mol. Its IUPAC name is ethane;6-methyl-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-methyl-N-[[3-[[5-[methyl(2-pyridin-2-ylethyl)carbamoyl]-3-pyridinyl]oxy]phenyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Nameethane;6-methyl-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-methyl-N-[[3-[[5-[methyl(2-pyridin-2-ylethyl)carbamoyl]-3-pyridinyl]oxy]phenyl]methyl]pyridine-3-carboxamide
PubChem CID145047361
Molecular FormulaC43H55N7O4
Molecular Weight733.96 g/mol
Exact Mass733.43
IUPAC Nameethane;6-methyl-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-methyl-N-[[3-[[5-[methyl(2-pyridin-2-ylethyl)carbamoyl]-3-pyridinyl]oxy]phenyl]methyl]pyridine-3-carboxamide
SMILESCC.CC.CC.Cc1cnc2c(c1)CCC(=O)N2.Cc1cncc(C(=O)NCc2cccc(Oc3cncc(C(=O)N(C)CCc4ccccn4)c3)c2)c1
InChIInChI=1S/C28H27N5O3.C9H10N2O.3C2H6/c1-20-12-22(17-29-15-20)27(34)32-16-21-6-5-8-25(13-21)36-26-14-23(18-30-19-26)28(35)33(2)11-9-24-7-3-4-10-31-24;1-6-4-7-2-3-8(12)11-9(7)10-5-6;3*1-2/h3-8,10,12-15,17-19H,9,11,16H2,1-2H3,(H,32,34);4-5H,2-3H2,1H3,(H,10,11,12);3*1-2H3
InChIKeyXXMFSAVEBBJVGE-UHFFFAOYSA-N
XLogP8.57
TPSA139.30 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500733.96
LogP ≤ 58.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze ethane;6-methyl-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-methyl-N-[[3-[[5-[methyl(2-pyridin-2-ylethyl)carbamoyl]-3-pyridinyl]oxy]phenyl]methyl]pyridine-3-carboxamide with MolForge

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Related Compounds

5-methyl-N-[[3-[[5-[methyl(2-pyridin-2-ylethyl)carbamoyl]-3-pyridinyl]oxy]phenyl]methyl]pyridine-3-carboxamide
CID 145047362
N-methyl-5-(4-methylphenyl)-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide
CID 122137867
N-methyl-4-phenoxy-N-(2-pyridin-2-ylethyl)benzamide
CID 78796251
2-(hydroxymethyl)-N-[(3-phenoxyphenyl)methyl]pyridine-4-carboxamide
CID 166384916
4-(4-methylphenyl)-N-[(3-pyridin-2-yloxyphenyl)methyl]benzamide
CID 121142482
N-[[3-[4-[(2S,4R,6S)-4-[4-(hydroxymethyl)phenyl]-6-[[methyl(2-pyridin-2-ylethyl)amino]methyl]-1,3-dioxan-2-yl]phenyl]phenyl]methyl]pyridine-3-carboxamide
CID 6695484
N-methyl-N-(2-pyridin-2-ylethyl)-3-sulfanylbenzamide
CID 107021824
5-(N-methylanilino)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 109234961
5-(4-phenoxyphenyl)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 46032971
4-N-methyl-4-N-(2-pyridin-4-ylethyl)-2-N-(pyridin-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087215
4-(dimethylsulfamoyl)-N-[(3-pyridin-2-yloxyphenyl)methyl]benzamide
CID 90596113
N-methyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-3-phenyl-N-(2-pyridin-2-ylethyl)propanamide
CID 20865797

Frequently Asked Questions

What is the IUPAC name of ethane;6-methyl-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-methyl-N-[[3-[[5-[methyl(2-pyridin-2-ylethyl)carbamoyl]-3-pyridinyl]oxy]phenyl]methyl]pyridine-3-carboxamide?
The IUPAC name of ethane;6-methyl-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-methyl-N-[[3-[[5-[methyl(2-pyridin-2-ylethyl)carbamoyl]-3-pyridinyl]oxy]phenyl]methyl]pyridine-3-carboxamide (CID 145047361) is ethane;6-methyl-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-methyl-N-[[3-[[5-[methyl(2-pyridin-2-ylethyl)carbamoyl]-3-pyridinyl]oxy]phenyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for ethane;6-methyl-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-methyl-N-[[3-[[5-[methyl(2-pyridin-2-ylethyl)carbamoyl]-3-pyridinyl]oxy]phenyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for ethane;6-methyl-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-methyl-N-[[3-[[5-[methyl(2-pyridin-2-ylethyl)carbamoyl]-3-pyridinyl]oxy]phenyl]methyl]pyridine-3-carboxamide is CC.CC.CC.Cc1cnc2c(c1)CCC(=O)N2.Cc1cncc(C(=O)NCc2cccc(Oc3cncc(C(=O)N(C)CCc4ccccn4)c3)c2)c1.
What is the InChIKey of ethane;6-methyl-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-methyl-N-[[3-[[5-[methyl(2-pyridin-2-ylethyl)carbamoyl]-3-pyridinyl]oxy]phenyl]methyl]pyridine-3-carboxamide?
The InChIKey is XXMFSAVEBBJVGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N5O3.C9H10N2O.3C2H6/c1-20-12-22(17-29-15-20)27(34)32-16-21-6-5-8-25(13-21)36-26-14-23(18-30-19-26)28(35)33(2)11-9-24-7-3-4-10-31-24;1-6-4-7-2-3-8(12)11-9(7)10-5-6;3*1-2/h3-8,10,12-15,17-19H,9,11,16H2,1-2H3,(H,32,34);4-5H,2-3H2,1H3,(H,10,11,12);3*1-2H3.
What are the key properties of ethane;6-methyl-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-methyl-N-[[3-[[5-[methyl(2-pyridin-2-ylethyl)carbamoyl]-3-pyridinyl]oxy]phenyl]methyl]pyridine-3-carboxamide?
ethane;6-methyl-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-methyl-N-[[3-[[5-[methyl(2-pyridin-2-ylethyl)carbamoyl]-3-pyridinyl]oxy]phenyl]methyl]pyridine-3-carboxamide has a molecular weight of 733.96 g/mol, XLogP of 8.57, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-methyl-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-methyl-N-[[3-[[5-[methyl(2-pyridin-2-ylethyl)carbamoyl]-3-pyridinyl]oxy]phenyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 145047361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).