3-[(dimethylsulfamoylamino)methyl]-6-[2-(2-oxo-1-pyridinyl)acetyl]-7,8-dihydro-5H-1,6-naphthyridine;formic acid

C19H25N5O6S — CID 155972535

IUPAC3-[(dimethylsulfamoylamino)methyl]-6-[2-(2-oxo-1-pyridinyl)acetyl]-7,8-dihydro-5H-1,6-naphthyridine;formic acid
SMILESCN(C)S(=O)(=O)NCc1cnc2c(c1)CN(C(=O)Cn1ccccc1=O)CC2.O=CO
InChIInChI=1S/C18H23N5O4S.CH2O2/c1-21(2)28(26,27)20-11-14-9-15-12-23(8-6-16(15)19-10-14)18(25)13-22-7-4-3-5-17(22)24;2-1-3/h3-5,7,9-10,20H,6,8,11-13H2,1-2H3;1H,(H,2,3)
InChIKeyMNJDNABHSWDCJZ-UHFFFAOYSA-N
MW451.51 g/mol
LogP-0.57
Rot. Bonds6

About 3-[(dimethylsulfamoylamino)methyl]-6-[2-(2-oxo-1-pyridinyl)acetyl]-7,8-dihydro-5H-1,6-naphthyridine;formic acid

3-[(dimethylsulfamoylamino)methyl]-6-[2-(2-oxo-1-pyridinyl)acetyl]-7,8-dihydro-5H-1,6-naphthyridine;formic acid (PubChem CID 155972535) has the molecular formula C19H25N5O6S and a molecular weight of 451.51 g/mol. Its IUPAC name is 3-[(dimethylsulfamoylamino)methyl]-6-[2-(2-oxo-1-pyridinyl)acetyl]-7,8-dihydro-5H-1,6-naphthyridine;formic acid.

Molecular Properties

Compound Name3-[(dimethylsulfamoylamino)methyl]-6-[2-(2-oxo-1-pyridinyl)acetyl]-7,8-dihydro-5H-1,6-naphthyridine;formic acid
PubChem CID155972535
Molecular FormulaC19H25N5O6S
Molecular Weight451.51 g/mol
Exact Mass451.15
IUPAC Name3-[(dimethylsulfamoylamino)methyl]-6-[2-(2-oxo-1-pyridinyl)acetyl]-7,8-dihydro-5H-1,6-naphthyridine;formic acid
SMILESCN(C)S(=O)(=O)NCc1cnc2c(c1)CN(C(=O)Cn1ccccc1=O)CC2.O=CO
InChIInChI=1S/C18H23N5O4S.CH2O2/c1-21(2)28(26,27)20-11-14-9-15-12-23(8-6-16(15)19-10-14)18(25)13-22-7-4-3-5-17(22)24;2-1-3/h3-5,7,9-10,20H,6,8,11-13H2,1-2H3;1H,(H,2,3)
InChIKeyMNJDNABHSWDCJZ-UHFFFAOYSA-N
XLogP-0.57
TPSA141.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.51
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 3-[(dimethylsulfamoylamino)methyl]-6-[2-(2-oxo-1-pyridinyl)acetyl]-7,8-dihydro-5H-1,6-naphthyridine;formic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[6-(3-fluoropyridine-4-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]methyl]propane-2-sulfonamide;formic acid
CID 155972347
1-[2-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-oxoethyl]pyridin-2-one
CID 118793652
2,2-dimethyl-N-[[6-(quinoxaline-2-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]methyl]propanamide
CID 155916991
1-[2-[2-[2-(dimethylamino)-1-hydroxyethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-2-oxoethyl]pyridin-2-one
CID 91788695
3,4-dimethoxy-N-[[6-(2-methoxyacetyl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]methyl]benzamide
CID 155910146
5-[(dimethylsulfamoylamino)methyl]-2-[(E)-3-(2-fluorophenyl)prop-2-enoyl]-6-methyl-3,4-dihydro-1H-2,7-naphthyridine
CID 42326538
1-(3-tert-butyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-(dimethylamino)ethanone
CID 59766994
1-(3-chloro-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-(4-methylsulfonylphenyl)ethanone
CID 46965556
1-[2-[(4S)-4-[[6-(dimethylamino)-3-pyridinyl]amino]azepan-1-yl]-2-oxoethyl]pyridin-2-one
CID 129343155
N,N-dimethyl-1-[2-(2-oxo-1-pyridinyl)acetyl]-3-pyrazol-1-ylpiperidine-3-carboxamide
CID 155879948
7-[2-(1,3-dihydroisoindol-2-yl)acetyl]-2-(dimethylamino)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136998405
1-[3-oxo-3-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propyl]pyridin-2-one
CID 72850728

Frequently Asked Questions

What is the IUPAC name of 3-[(dimethylsulfamoylamino)methyl]-6-[2-(2-oxo-1-pyridinyl)acetyl]-7,8-dihydro-5H-1,6-naphthyridine;formic acid?
The IUPAC name of 3-[(dimethylsulfamoylamino)methyl]-6-[2-(2-oxo-1-pyridinyl)acetyl]-7,8-dihydro-5H-1,6-naphthyridine;formic acid (CID 155972535) is 3-[(dimethylsulfamoylamino)methyl]-6-[2-(2-oxo-1-pyridinyl)acetyl]-7,8-dihydro-5H-1,6-naphthyridine;formic acid.
What is the SMILES notation for 3-[(dimethylsulfamoylamino)methyl]-6-[2-(2-oxo-1-pyridinyl)acetyl]-7,8-dihydro-5H-1,6-naphthyridine;formic acid?
The canonical SMILES for 3-[(dimethylsulfamoylamino)methyl]-6-[2-(2-oxo-1-pyridinyl)acetyl]-7,8-dihydro-5H-1,6-naphthyridine;formic acid is CN(C)S(=O)(=O)NCc1cnc2c(c1)CN(C(=O)Cn1ccccc1=O)CC2.O=CO.
What is the InChIKey of 3-[(dimethylsulfamoylamino)methyl]-6-[2-(2-oxo-1-pyridinyl)acetyl]-7,8-dihydro-5H-1,6-naphthyridine;formic acid?
The InChIKey is MNJDNABHSWDCJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O4S.CH2O2/c1-21(2)28(26,27)20-11-14-9-15-12-23(8-6-16(15)19-10-14)18(25)13-22-7-4-3-5-17(22)24;2-1-3/h3-5,7,9-10,20H,6,8,11-13H2,1-2H3;1H,(H,2,3).
What are the key properties of 3-[(dimethylsulfamoylamino)methyl]-6-[2-(2-oxo-1-pyridinyl)acetyl]-7,8-dihydro-5H-1,6-naphthyridine;formic acid?
3-[(dimethylsulfamoylamino)methyl]-6-[2-(2-oxo-1-pyridinyl)acetyl]-7,8-dihydro-5H-1,6-naphthyridine;formic acid has a molecular weight of 451.51 g/mol, XLogP of -0.57, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(dimethylsulfamoylamino)methyl]-6-[2-(2-oxo-1-pyridinyl)acetyl]-7,8-dihydro-5H-1,6-naphthyridine;formic acid is sourced from PubChem (CID 155972535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).