2-N,2-N-dimethyl-5-N-[(4-methylsulfonylphenyl)methyl]-3,4-dihydro-1H-2,7-naphthyridine-2,5-dicarboxamide

C20H24N4O4S — CID 112522295

IUPAC2-N,2-N-dimethyl-5-N-[(4-methylsulfonylphenyl)methyl]-3,4-dihydro-1H-2,7-naphthyridine-2,5-dicarboxamide
SMILESCN(C)C(=O)N1CCc2c(cncc2C(=O)NCc2ccc(S(C)(=O)=O)cc2)C1
InChIInChI=1S/C20H24N4O4S/c1-23(2)20(26)24-9-8-17-15(13-24)11-21-12-18(17)19(25)22-10-14-4-6-16(7-5-14)29(3,27)28/h4-7,11-12H,8-10,13H2,1-3H3,(H,22,25)
InChIKeyVWCADABLPLQCHW-UHFFFAOYSA-N
MW416.50 g/mol
LogP1.45
Rot. Bonds4

About 2-N,2-N-dimethyl-5-N-[(4-methylsulfonylphenyl)methyl]-3,4-dihydro-1H-2,7-naphthyridine-2,5-dicarboxamide

2-N,2-N-dimethyl-5-N-[(4-methylsulfonylphenyl)methyl]-3,4-dihydro-1H-2,7-naphthyridine-2,5-dicarboxamide (PubChem CID 112522295) has the molecular formula C20H24N4O4S and a molecular weight of 416.50 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-5-N-[(4-methylsulfonylphenyl)methyl]-3,4-dihydro-1H-2,7-naphthyridine-2,5-dicarboxamide.

Molecular Properties

Compound Name2-N,2-N-dimethyl-5-N-[(4-methylsulfonylphenyl)methyl]-3,4-dihydro-1H-2,7-naphthyridine-2,5-dicarboxamide
PubChem CID112522295
Molecular FormulaC20H24N4O4S
Molecular Weight416.50 g/mol
Exact Mass416.15
IUPAC Name2-N,2-N-dimethyl-5-N-[(4-methylsulfonylphenyl)methyl]-3,4-dihydro-1H-2,7-naphthyridine-2,5-dicarboxamide
SMILESCN(C)C(=O)N1CCc2c(cncc2C(=O)NCc2ccc(S(C)(=O)=O)cc2)C1
InChIInChI=1S/C20H24N4O4S/c1-23(2)20(26)24-9-8-17-15(13-24)11-21-12-18(17)19(25)22-10-14-4-6-16(7-5-14)29(3,27)28/h4-7,11-12H,8-10,13H2,1-3H3,(H,22,25)
InChIKeyVWCADABLPLQCHW-UHFFFAOYSA-N
XLogP1.45
TPSA99.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.50
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-N-[(4-fluorophenyl)methyl]-2-N,2-N-dimethyl-3,4-dihydro-1H-2,7-naphthyridine-2,5-dicarboxamide
CID 112528408
7-methylsulfonyl-N-[(4-methylsulfonylphenyl)methyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
CID 112522292
2-N,2-N-dimethyl-5-N-(2-methylpropyl)-3,4-dihydro-1H-2,7-naphthyridine-2,5-dicarboxamide
CID 112520053
5-N-[(2-chlorophenyl)methyl]-2-N,2-N-dimethyl-3,4-dihydro-1H-2,7-naphthyridine-2,5-dicarboxamide
CID 112522534
7-acetyl-N-(pyridin-4-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
CID 112522226
ethyl 5-[(4-methoxyphenyl)methylcarbamoyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate
CID 112522018
5-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-N,2-N-dimethyl-3,4-dihydro-1H-2,7-naphthyridine-2,5-dicarboxamide
CID 112529860
5-N-(3-chloro-2-methylphenyl)-2-N,2-N-dimethyl-3,4-dihydro-1H-2,7-naphthyridine-2,5-dicarboxamide
CID 112520617
2-N,2-N-dimethyl-5-N-pyrrolidin-3-yl-3,4-dihydro-1H-2,7-naphthyridine-2,5-dicarboxamide
CID 112530807
2-N,2-N-dimethyl-5-N-(3-methylphenyl)-3,4-dihydro-1H-2,7-naphthyridine-2,5-dicarboxamide
CID 112521146
5-N-(1H-imidazol-2-yl)-2-N,2-N-dimethyl-3,4-dihydro-1H-2,7-naphthyridine-2,5-dicarboxamide
CID 112524414
5-N-(5-chloro-2-methylphenyl)-2-N,2-N-dimethyl-3,4-dihydro-1H-2,7-naphthyridine-2,5-dicarboxamide
CID 112523206

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dimethyl-5-N-[(4-methylsulfonylphenyl)methyl]-3,4-dihydro-1H-2,7-naphthyridine-2,5-dicarboxamide?
The IUPAC name of 2-N,2-N-dimethyl-5-N-[(4-methylsulfonylphenyl)methyl]-3,4-dihydro-1H-2,7-naphthyridine-2,5-dicarboxamide (CID 112522295) is 2-N,2-N-dimethyl-5-N-[(4-methylsulfonylphenyl)methyl]-3,4-dihydro-1H-2,7-naphthyridine-2,5-dicarboxamide.
What is the SMILES notation for 2-N,2-N-dimethyl-5-N-[(4-methylsulfonylphenyl)methyl]-3,4-dihydro-1H-2,7-naphthyridine-2,5-dicarboxamide?
The canonical SMILES for 2-N,2-N-dimethyl-5-N-[(4-methylsulfonylphenyl)methyl]-3,4-dihydro-1H-2,7-naphthyridine-2,5-dicarboxamide is CN(C)C(=O)N1CCc2c(cncc2C(=O)NCc2ccc(S(C)(=O)=O)cc2)C1.
What is the InChIKey of 2-N,2-N-dimethyl-5-N-[(4-methylsulfonylphenyl)methyl]-3,4-dihydro-1H-2,7-naphthyridine-2,5-dicarboxamide?
The InChIKey is VWCADABLPLQCHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O4S/c1-23(2)20(26)24-9-8-17-15(13-24)11-21-12-18(17)19(25)22-10-14-4-6-16(7-5-14)29(3,27)28/h4-7,11-12H,8-10,13H2,1-3H3,(H,22,25).
What are the key properties of 2-N,2-N-dimethyl-5-N-[(4-methylsulfonylphenyl)methyl]-3,4-dihydro-1H-2,7-naphthyridine-2,5-dicarboxamide?
2-N,2-N-dimethyl-5-N-[(4-methylsulfonylphenyl)methyl]-3,4-dihydro-1H-2,7-naphthyridine-2,5-dicarboxamide has a molecular weight of 416.50 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dimethyl-5-N-[(4-methylsulfonylphenyl)methyl]-3,4-dihydro-1H-2,7-naphthyridine-2,5-dicarboxamide is sourced from PubChem (CID 112522295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).