N-[(4-cyanophenyl)methyl]-1-methyl-8-[[1-[(S)-methylsulfinimidoyl]cyclopropyl]methoxy]-2-oxo-1,7-naphthyridine-3-carboxamide

C23H23N5O3S — CID 169147709

IUPACN-[(4-cyanophenyl)methyl]-1-methyl-8-[[1-[(S)-methylsulfinimidoyl]cyclopropyl]methoxy]-2-oxo-1,7-naphthyridine-3-carboxamide
SMILES[H]/N=[S@@](\C)C1(COc2nccc3cc(C(=O)NCc4ccc(C#N)cc4)c(=O)n(C)c23)CC1
InChIInChI=1S/C23H23N5O3S/c1-28-19-17(7-10-26-21(19)31-14-23(8-9-23)32(2)25)11-18(22(28)30)20(29)27-13-16-5-3-15(12-24)4-6-16/h3-7,10-11,25H,8-9,13-14H2,1-2H3,(H,27,29)/t32-/m0/s1
InChIKeyDRIYTSFRETUEIV-YTTGMZPUSA-N
MW449.54 g/mol
LogP2.66
Rot. Bonds7

About N-[(4-cyanophenyl)methyl]-1-methyl-8-[[1-[(S)-methylsulfinimidoyl]cyclopropyl]methoxy]-2-oxo-1,7-naphthyridine-3-carboxamide

N-[(4-cyanophenyl)methyl]-1-methyl-8-[[1-[(S)-methylsulfinimidoyl]cyclopropyl]methoxy]-2-oxo-1,7-naphthyridine-3-carboxamide (PubChem CID 169147709) has the molecular formula C23H23N5O3S and a molecular weight of 449.54 g/mol. Its IUPAC name is N-[(4-cyanophenyl)methyl]-1-methyl-8-[[1-[(S)-methylsulfinimidoyl]cyclopropyl]methoxy]-2-oxo-1,7-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-cyanophenyl)methyl]-1-methyl-8-[[1-[(S)-methylsulfinimidoyl]cyclopropyl]methoxy]-2-oxo-1,7-naphthyridine-3-carboxamide
PubChem CID169147709
Molecular FormulaC23H23N5O3S
Molecular Weight449.54 g/mol
Exact Mass449.15
IUPAC NameN-[(4-cyanophenyl)methyl]-1-methyl-8-[[1-[(S)-methylsulfinimidoyl]cyclopropyl]methoxy]-2-oxo-1,7-naphthyridine-3-carboxamide
SMILES[H]/N=[S@@](\C)C1(COc2nccc3cc(C(=O)NCc4ccc(C#N)cc4)c(=O)n(C)c23)CC1
InChIInChI=1S/C23H23N5O3S/c1-28-19-17(7-10-26-21(19)31-14-23(8-9-23)32(2)25)11-18(22(28)30)20(29)27-13-16-5-3-15(12-24)4-6-16/h3-7,10-11,25H,8-9,13-14H2,1-2H3,(H,27,29)/t32-/m0/s1
InChIKeyDRIYTSFRETUEIV-YTTGMZPUSA-N
XLogP2.66
TPSA120.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.54
LogP ≤ 52.66
H-Bond Donors ≤ 52
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
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
1-[[1-methyl-3-[[4-(methylamino)phenyl]methylcarbamoyl]-2-oxo-1,7-naphthyridin-8-yl]oxymethyl]cyclopropane-1-sulfonyl chloride
CID 169147699
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-8-[(1-methylsulfanylcyclopropyl)methoxy]-2-oxo-1,5-naphthyridine-3-carboxamide
CID 170101275
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-[(S)-methylsulfinimidoyl]cyclopropyl]methoxy]-2-oxo-1,7-naphthyridine-3-carboxamide?
The IUPAC name of N-[(4-cyanophenyl)methyl]-1-methyl-8-[[1-[(S)-methylsulfinimidoyl]cyclopropyl]methoxy]-2-oxo-1,7-naphthyridine-3-carboxamide (CID 169147709) is N-[(4-cyanophenyl)methyl]-1-methyl-8-[[1-[(S)-methylsulfinimidoyl]cyclopropyl]methoxy]-2-oxo-1,7-naphthyridine-3-carboxamide.
What is the SMILES notation for N-[(4-cyanophenyl)methyl]-1-methyl-8-[[1-[(S)-methylsulfinimidoyl]cyclopropyl]methoxy]-2-oxo-1,7-naphthyridine-3-carboxamide?
The canonical SMILES for N-[(4-cyanophenyl)methyl]-1-methyl-8-[[1-[(S)-methylsulfinimidoyl]cyclopropyl]methoxy]-2-oxo-1,7-naphthyridine-3-carboxamide is [H]/N=[S@@](\C)C1(COc2nccc3cc(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-[(S)-methylsulfinimidoyl]cyclopropyl]methoxy]-2-oxo-1,7-naphthyridine-3-carboxamide?
The InChIKey is DRIYTSFRETUEIV-YTTGMZPUSA-N. The full InChI is InChI=1S/C23H23N5O3S/c1-28-19-17(7-10-26-21(19)31-14-23(8-9-23)32(2)25)11-18(22(28)30)20(29)27-13-16-5-3-15(12-24)4-6-16/h3-7,10-11,25H,8-9,13-14H2,1-2H3,(H,27,29)/t32-/m0/s1.
What are the key properties of N-[(4-cyanophenyl)methyl]-1-methyl-8-[[1-[(S)-methylsulfinimidoyl]cyclopropyl]methoxy]-2-oxo-1,7-naphthyridine-3-carboxamide?
N-[(4-cyanophenyl)methyl]-1-methyl-8-[[1-[(S)-methylsulfinimidoyl]cyclopropyl]methoxy]-2-oxo-1,7-naphthyridine-3-carboxamide has a molecular weight of 449.54 g/mol, XLogP of 2.66, 7 rotatable bonds, 2 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-[(S)-methylsulfinimidoyl]cyclopropyl]methoxy]-2-oxo-1,7-naphthyridine-3-carboxamide is sourced from PubChem (CID 169147709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).