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

C21H18N6O4S — CID 176666852

IUPAC6-methyl-5-methylsulfonyl-N-[[2-(6-oxo-1H-pyridazin-3-yl)-1,6-naphthyridin-7-yl]methyl]pyridine-3-carboxamide
SMILESCc1ncc(C(=O)NCc2cc3nc(-c4ccc(=O)[nH]n4)ccc3cn2)cc1S(C)(=O)=O
InChIInChI=1S/C21H18N6O4S/c1-12-19(32(2,30)31)7-14(10-22-12)21(29)24-11-15-8-18-13(9-23-15)3-4-16(25-18)17-5-6-20(28)27-26-17/h3-10H,11H2,1-2H3,(H,24,29)(H,27,28)
InChIKeyULSFHKYLZIGGGS-UHFFFAOYSA-N
MW450.48 g/mol
LogP1.42
Rot. Bonds5

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

6-methyl-5-methylsulfonyl-N-[[2-(6-oxo-1H-pyridazin-3-yl)-1,6-naphthyridin-7-yl]methyl]pyridine-3-carboxamide (PubChem CID 176666852) has the molecular formula C21H18N6O4S and a molecular weight of 450.48 g/mol. Its IUPAC name is 6-methyl-5-methylsulfonyl-N-[[2-(6-oxo-1H-pyridazin-3-yl)-1,6-naphthyridin-7-yl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-5-methylsulfonyl-N-[[2-(6-oxo-1H-pyridazin-3-yl)-1,6-naphthyridin-7-yl]methyl]pyridine-3-carboxamide
PubChem CID176666852
Molecular FormulaC21H18N6O4S
Molecular Weight450.48 g/mol
Exact Mass450.11
IUPAC Name6-methyl-5-methylsulfonyl-N-[[2-(6-oxo-1H-pyridazin-3-yl)-1,6-naphthyridin-7-yl]methyl]pyridine-3-carboxamide
SMILESCc1ncc(C(=O)NCc2cc3nc(-c4ccc(=O)[nH]n4)ccc3cn2)cc1S(C)(=O)=O
InChIInChI=1S/C21H18N6O4S/c1-12-19(32(2,30)31)7-14(10-22-12)21(29)24-11-15-8-18-13(9-23-15)3-4-16(25-18)17-5-6-20(28)27-26-17/h3-10H,11H2,1-2H3,(H,24,29)(H,27,28)
InChIKeyULSFHKYLZIGGGS-UHFFFAOYSA-N
XLogP1.42
TPSA147.66 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.48
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[[2-[2-(6,8-dioxo-5,7,11-triazadispiro[2.0.44.43]dodecan-11-yl)pyrimidin-4-yl]-1,6-naphthyridin-7-yl]methyl]-6-methyl-5-methylsulfonylpyridine-3-carboxamide
CID 176666927
6-methyl-N-[[2-[2-[(6R)-6-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]pyrimidin-4-yl]-1,6-naphthyridin-7-yl]methyl]-5-methylsulfonylpyridine-3-carboxamide
CID 176666598
4-ethyl-N-[[2-(6-fluoro-2-pyridinyl)-1,6-naphthyridin-7-yl]methyl]-3-methylsulfonylbenzamide
CID 176665328
4-chloro-N-[[2-(6-cyclopropylpyrazin-2-yl)-1,6-naphthyridin-7-yl]methyl]-3-fluoro-5-methylsulfonylbenzamide
CID 170545018
4-methyl-3-methylsulfonyl-N-[[2-[6-[(1R,5S)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]benzamide
CID 176665280
N-[[2-[6-[2-(dimethylamino)ethylamino]-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5-methylsulfonylpyridine-3-carboxamide
CID 176666907
N-[[2-[6-(1,1-dioxo-1,3-thiazinan-3-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-4-methyl-3-methylsulfonylbenzamide
CID 176665279
N-[[2-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-formyl-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-4-methyl-3-methylsulfonylbenzamide;molecular hydrogen
CID 176665222
N-[[2-[6-[(3S,5R)-4-(2-hydroxyethyl)-3,5-dimethylpiperidin-1-yl]-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-4-methyl-3-methylsulfonylbenzamide
CID 176665510
N-[(6-oxo-1H-pyridazin-3-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 139017467
N-[[2-[6-(3,5-dimethylpiperidin-1-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-6-methyl-5-methylsulfanylpyridine-3-carboxamide
CID 176666909
4-(difluoromethyl)-N-[[2-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrazin-2-yl]-1,6-naphthyridin-7-yl]methyl]-3-methylsulfonylbenzamide
CID 170544628

Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-methylsulfonyl-N-[[2-(6-oxo-1H-pyridazin-3-yl)-1,6-naphthyridin-7-yl]methyl]pyridine-3-carboxamide?
The IUPAC name of 6-methyl-5-methylsulfonyl-N-[[2-(6-oxo-1H-pyridazin-3-yl)-1,6-naphthyridin-7-yl]methyl]pyridine-3-carboxamide (CID 176666852) is 6-methyl-5-methylsulfonyl-N-[[2-(6-oxo-1H-pyridazin-3-yl)-1,6-naphthyridin-7-yl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-methyl-5-methylsulfonyl-N-[[2-(6-oxo-1H-pyridazin-3-yl)-1,6-naphthyridin-7-yl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 6-methyl-5-methylsulfonyl-N-[[2-(6-oxo-1H-pyridazin-3-yl)-1,6-naphthyridin-7-yl]methyl]pyridine-3-carboxamide is Cc1ncc(C(=O)NCc2cc3nc(-c4ccc(=O)[nH]n4)ccc3cn2)cc1S(C)(=O)=O.
What is the InChIKey of 6-methyl-5-methylsulfonyl-N-[[2-(6-oxo-1H-pyridazin-3-yl)-1,6-naphthyridin-7-yl]methyl]pyridine-3-carboxamide?
The InChIKey is ULSFHKYLZIGGGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N6O4S/c1-12-19(32(2,30)31)7-14(10-22-12)21(29)24-11-15-8-18-13(9-23-15)3-4-16(25-18)17-5-6-20(28)27-26-17/h3-10H,11H2,1-2H3,(H,24,29)(H,27,28).
What are the key properties of 6-methyl-5-methylsulfonyl-N-[[2-(6-oxo-1H-pyridazin-3-yl)-1,6-naphthyridin-7-yl]methyl]pyridine-3-carboxamide?
6-methyl-5-methylsulfonyl-N-[[2-(6-oxo-1H-pyridazin-3-yl)-1,6-naphthyridin-7-yl]methyl]pyridine-3-carboxamide has a molecular weight of 450.48 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-methylsulfonyl-N-[[2-(6-oxo-1H-pyridazin-3-yl)-1,6-naphthyridin-7-yl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 176666852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).