N-[(4-cyanophenyl)methyl]-1-methyl-8-[(1-methylsulfanylcyclopropyl)methoxy]-2-oxo-1,5-naphthyridine-3-carboxamide

C23H22N4O3S — CID 170101275

IUPACN-[(4-cyanophenyl)methyl]-1-methyl-8-[(1-methylsulfanylcyclopropyl)methoxy]-2-oxo-1,5-naphthyridine-3-carboxamide
SMILESCSC1(COc2ccnc3cc(C(=O)NCc4ccc(C#N)cc4)c(=O)n(C)c23)CC1
InChIInChI=1S/C23H22N4O3S/c1-27-20-18(25-10-7-19(20)30-14-23(31-2)8-9-23)11-17(22(27)29)21(28)26-13-16-5-3-15(12-24)4-6-16/h3-7,10-11H,8-9,13-14H2,1-2H3,(H,26,28)
InChIKeyFDPHHNZXWHJATF-UHFFFAOYSA-N
MW434.52 g/mol
LogP3.01
Rot. Bonds7

About N-[(4-cyanophenyl)methyl]-1-methyl-8-[(1-methylsulfanylcyclopropyl)methoxy]-2-oxo-1,5-naphthyridine-3-carboxamide

N-[(4-cyanophenyl)methyl]-1-methyl-8-[(1-methylsulfanylcyclopropyl)methoxy]-2-oxo-1,5-naphthyridine-3-carboxamide (PubChem CID 170101275) has the molecular formula C23H22N4O3S and a molecular weight of 434.52 g/mol. Its IUPAC name is N-[(4-cyanophenyl)methyl]-1-methyl-8-[(1-methylsulfanylcyclopropyl)methoxy]-2-oxo-1,5-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-cyanophenyl)methyl]-1-methyl-8-[(1-methylsulfanylcyclopropyl)methoxy]-2-oxo-1,5-naphthyridine-3-carboxamide
PubChem CID170101275
Molecular FormulaC23H22N4O3S
Molecular Weight434.52 g/mol
Exact Mass434.14
IUPAC NameN-[(4-cyanophenyl)methyl]-1-methyl-8-[(1-methylsulfanylcyclopropyl)methoxy]-2-oxo-1,5-naphthyridine-3-carboxamide
SMILESCSC1(COc2ccnc3cc(C(=O)NCc4ccc(C#N)cc4)c(=O)n(C)c23)CC1
InChIInChI=1S/C23H22N4O3S/c1-27-20-18(25-10-7-19(20)30-14-23(31-2)8-9-23)11-17(22(27)29)21(28)26-13-16-5-3-15(12-24)4-6-16/h3-7,10-11H,8-9,13-14H2,1-2H3,(H,26,28)
InChIKeyFDPHHNZXWHJATF-UHFFFAOYSA-N
XLogP3.01
TPSA97.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

8-[[1-(cyanoamino)sulfanylcyclopropyl]methoxy]-N-[(4-cyanophenyl)methyl]-1-methyl-2-oxo-1,7-naphthyridine-3-carboxamide
CID 169147353
N-[(4-cyanophenyl)methyl]-1-methyl-2-oxo-8-[(1-pyrrolidin-1-ylsulfanylcyclopropyl)methoxy]-1,7-naphthyridine-3-carboxamide
CID 170101994
8-[[1-[tert-butyl(methyl)amino]sulfanylcyclopropyl]methoxy]-N-[(4-cyanophenyl)methyl]-1-methyl-2-oxo-1,7-naphthyridine-3-carboxamide
CID 169146998
N-[(4-cyanophenyl)methyl]-1-methyl-8-[[1-[(S)-methylsulfinimidoyl]cyclopropyl]methoxy]-2-oxo-1,7-naphthyridine-3-carboxamide
CID 169147709
8-[[1-[bis[(4-methoxyphenyl)methyl]sulfamoyl]cyclopropyl]methoxy]-N-[(4-chlorophenyl)methyl]-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide
CID 169147277
8-[[1-[bis(ethoxymethyl)sulfamoyl]cyclopropyl]methoxy]-N-[(4-cyanophenyl)methyl]-1-methyl-2-oxo-1,7-naphthyridine-3-carboxamide
CID 169147270
N-[(4-cyanophenyl)methyl]-8-[[1-[(3R)-3-hydroxypyrrolidin-1-yl]sulfonylcyclopropyl]methoxy]-1-methyl-2-oxo-1,7-naphthyridine-3-carboxamide
CID 169147027
N-[(4-cyanophenyl)methyl]-8-[[1-(hydroxysulfamoyl)cyclopropyl]methoxy]-1-methyl-2-oxopyrido[2,3-d]pyridazine-3-carboxamide
CID 169147238
N-[(4-cyanophenyl)methyl]-8-[[1-(dimethylsulfamoyl)cyclopropyl]methoxy]-1-methyl-2-oxopyrido[2,3-d]pyridazine-3-carboxamide
CID 169147204
N-[(4-cyanophenyl)methyl]-8-[[1-[methoxy(methyl)sulfamoyl]cyclopropyl]methoxy]-1-methyl-2-oxopyrido[2,3-d]pyridazine-3-carboxamide
CID 169147079
N-[(4-cyanophenyl)methyl]-1-methyl-2-oxo-8-[[1-(1,3-thiazol-2-ylsulfamoyl)cyclopropyl]methoxy]pyrido[2,3-d]pyridazine-3-carboxamide
CID 169147430
N-[(4-cyanophenyl)methyl]-1-methyl-8-[[1-(1,3-oxazepan-3-ylsulfonyl)cyclopropyl]methoxy]-2-oxopyrido[2,3-d]pyridazine-3-carboxamide;molecular hydrogen
CID 169146985

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyanophenyl)methyl]-1-methyl-8-[(1-methylsulfanylcyclopropyl)methoxy]-2-oxo-1,5-naphthyridine-3-carboxamide?
The IUPAC name of N-[(4-cyanophenyl)methyl]-1-methyl-8-[(1-methylsulfanylcyclopropyl)methoxy]-2-oxo-1,5-naphthyridine-3-carboxamide (CID 170101275) is N-[(4-cyanophenyl)methyl]-1-methyl-8-[(1-methylsulfanylcyclopropyl)methoxy]-2-oxo-1,5-naphthyridine-3-carboxamide.
What is the SMILES notation for N-[(4-cyanophenyl)methyl]-1-methyl-8-[(1-methylsulfanylcyclopropyl)methoxy]-2-oxo-1,5-naphthyridine-3-carboxamide?
The canonical SMILES for N-[(4-cyanophenyl)methyl]-1-methyl-8-[(1-methylsulfanylcyclopropyl)methoxy]-2-oxo-1,5-naphthyridine-3-carboxamide is CSC1(COc2ccnc3cc(C(=O)NCc4ccc(C#N)cc4)c(=O)n(C)c23)CC1.
What is the InChIKey of N-[(4-cyanophenyl)methyl]-1-methyl-8-[(1-methylsulfanylcyclopropyl)methoxy]-2-oxo-1,5-naphthyridine-3-carboxamide?
The InChIKey is FDPHHNZXWHJATF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3S/c1-27-20-18(25-10-7-19(20)30-14-23(31-2)8-9-23)11-17(22(27)29)21(28)26-13-16-5-3-15(12-24)4-6-16/h3-7,10-11H,8-9,13-14H2,1-2H3,(H,26,28).
What are the key properties of N-[(4-cyanophenyl)methyl]-1-methyl-8-[(1-methylsulfanylcyclopropyl)methoxy]-2-oxo-1,5-naphthyridine-3-carboxamide?
N-[(4-cyanophenyl)methyl]-1-methyl-8-[(1-methylsulfanylcyclopropyl)methoxy]-2-oxo-1,5-naphthyridine-3-carboxamide has a molecular weight of 434.52 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyanophenyl)methyl]-1-methyl-8-[(1-methylsulfanylcyclopropyl)methoxy]-2-oxo-1,5-naphthyridine-3-carboxamide is sourced from PubChem (CID 170101275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).