2-ethoxy-N-[(6-methylsulfonyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)methyl]pyridine-3-carboxamide

C18H22N4O4S — CID 155911363

IUPAC2-ethoxy-N-[(6-methylsulfonyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)methyl]pyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)NCc1cnc2c(c1)CN(S(C)(=O)=O)CC2
InChIInChI=1S/C18H22N4O4S/c1-3-26-18-15(5-4-7-19-18)17(23)21-11-13-9-14-12-22(27(2,24)25)8-6-16(14)20-10-13/h4-5,7,9-10H,3,6,8,11-12H2,1-2H3,(H,21,23)
InChIKeySMYOVTQWMGNDNF-UHFFFAOYSA-N
MW390.47 g/mol
LogP1.12
Rot. Bonds6

About 2-ethoxy-N-[(6-methylsulfonyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)methyl]pyridine-3-carboxamide

2-ethoxy-N-[(6-methylsulfonyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)methyl]pyridine-3-carboxamide (PubChem CID 155911363) has the molecular formula C18H22N4O4S and a molecular weight of 390.47 g/mol. Its IUPAC name is 2-ethoxy-N-[(6-methylsulfonyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-ethoxy-N-[(6-methylsulfonyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)methyl]pyridine-3-carboxamide
PubChem CID155911363
Molecular FormulaC18H22N4O4S
Molecular Weight390.47 g/mol
Exact Mass390.14
IUPAC Name2-ethoxy-N-[(6-methylsulfonyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)methyl]pyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)NCc1cnc2c(c1)CN(S(C)(=O)=O)CC2
InChIInChI=1S/C18H22N4O4S/c1-3-26-18-15(5-4-7-19-18)17(23)21-11-13-9-14-12-22(27(2,24)25)8-6-16(14)20-10-13/h4-5,7,9-10H,3,6,8,11-12H2,1-2H3,(H,21,23)
InChIKeySMYOVTQWMGNDNF-UHFFFAOYSA-N
XLogP1.12
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-2-ethoxypyridine-3-carboxamide
CID 90650071
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CID 110117869
2-methoxy-N-[(5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]pyridine-3-carboxamide
CID 118760769
2-ethoxy-N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]pyridine-3-carboxamide
CID 55886671
N-[[4-(difluoromethoxy)phenyl]methyl]-2-ethoxypyridine-3-carboxamide
CID 42007122
2-ethoxy-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]pyridine-3-carboxamide
CID 55800925
2-ethoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide
CID 39888643
methyl 2-[(2-ethoxypyridine-3-carbonyl)amino]acetate
CID 27682250
2-ethoxy-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 27848565
4-[4-[[(2-ethoxypyridine-3-carbonyl)amino]methyl]phenoxy]butanoic acid
CID 119247313
2-ethoxy-N-[[5-(2-methylpropanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyridine-3-carboxamide
CID 118780463
2-amino-N-benzyl-6-(diethylsulfamoyl)-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide
CID 92620847

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[(6-methylsulfonyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of 2-ethoxy-N-[(6-methylsulfonyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)methyl]pyridine-3-carboxamide (CID 155911363) is 2-ethoxy-N-[(6-methylsulfonyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-ethoxy-N-[(6-methylsulfonyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 2-ethoxy-N-[(6-methylsulfonyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)methyl]pyridine-3-carboxamide is CCOc1ncccc1C(=O)NCc1cnc2c(c1)CN(S(C)(=O)=O)CC2.
What is the InChIKey of 2-ethoxy-N-[(6-methylsulfonyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)methyl]pyridine-3-carboxamide?
The InChIKey is SMYOVTQWMGNDNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O4S/c1-3-26-18-15(5-4-7-19-18)17(23)21-11-13-9-14-12-22(27(2,24)25)8-6-16(14)20-10-13/h4-5,7,9-10H,3,6,8,11-12H2,1-2H3,(H,21,23).
What are the key properties of 2-ethoxy-N-[(6-methylsulfonyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)methyl]pyridine-3-carboxamide?
2-ethoxy-N-[(6-methylsulfonyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)methyl]pyridine-3-carboxamide has a molecular weight of 390.47 g/mol, XLogP of 1.12, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[(6-methylsulfonyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 155911363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).