3-[(4-methylnaphthalene-1-carbonyl)amino]-6-methylsulfonylpyridine-2-carboxylic acid

C19H16N2O5S — CID 68977534

IUPAC3-[(4-methylnaphthalene-1-carbonyl)amino]-6-methylsulfonylpyridine-2-carboxylic acid
SMILESCc1ccc(C(=O)Nc2ccc(S(C)(=O)=O)nc2C(=O)O)c2ccccc12
InChIInChI=1S/C19H16N2O5S/c1-11-7-8-14(13-6-4-3-5-12(11)13)18(22)20-15-9-10-16(27(2,25)26)21-17(15)19(23)24/h3-10H,1-2H3,(H,20,22)(H,23,24)
InChIKeyQSYQVMLYZMGSOH-UHFFFAOYSA-N
MW384.41 g/mol
LogP2.90
Rot. Bonds4

About 3-[(4-methylnaphthalene-1-carbonyl)amino]-6-methylsulfonylpyridine-2-carboxylic acid

3-[(4-methylnaphthalene-1-carbonyl)amino]-6-methylsulfonylpyridine-2-carboxylic acid (PubChem CID 68977534) has the molecular formula C19H16N2O5S and a molecular weight of 384.41 g/mol. Its IUPAC name is 3-[(4-methylnaphthalene-1-carbonyl)amino]-6-methylsulfonylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-[(4-methylnaphthalene-1-carbonyl)amino]-6-methylsulfonylpyridine-2-carboxylic acid
PubChem CID68977534
Molecular FormulaC19H16N2O5S
Molecular Weight384.41 g/mol
Exact Mass384.08
IUPAC Name3-[(4-methylnaphthalene-1-carbonyl)amino]-6-methylsulfonylpyridine-2-carboxylic acid
SMILESCc1ccc(C(=O)Nc2ccc(S(C)(=O)=O)nc2C(=O)O)c2ccccc12
InChIInChI=1S/C19H16N2O5S/c1-11-7-8-14(13-6-4-3-5-12(11)13)18(22)20-15-9-10-16(27(2,25)26)21-17(15)19(23)24/h3-10H,1-2H3,(H,20,22)(H,23,24)
InChIKeyQSYQVMLYZMGSOH-UHFFFAOYSA-N
XLogP2.90
TPSA113.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.41
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-methylnaphthalene-1-carbonyl)amino]-6-methylsulfinyl-N-(oxan-4-ylmethyl)pyridine-2-carboxamide;3-[(4-methylnaphthalene-1-carbonyl)amino]-6-methylsulfonyl-N-(oxan-4-ylmethyl)pyridine-2-carboxamide
CID 161306427
4,5-dimethyl-2-[(4-methylnaphthalene-1-carbonyl)amino]thiophene-3-carboxylic acid
CID 175140929
N,4-dimethylnaphthalene-1-carboxamide
CID 90054861
N-cyclohexyloxy-3-[(4-methylnaphthalene-1-carbonyl)amino]pyridine-2-carboxamide
CID 11697052
3-[[4-(bromomethyl)naphthalene-1-carbonyl]amino]-6-methoxy-N-(oxan-4-ylmethyl)pyridine-2-carboxamide;6-methoxy-3-[(4-methylnaphthalene-1-carbonyl)amino]-N-(oxan-4-ylmethyl)pyridine-2-carboxamide
CID 158402465
N-cyclobutyl-3-[(4-methylnaphthalene-1-carbonyl)amino]pyridine-2-carboxamide;2-(4-methylnaphthalen-1-yl)pyrido[3,2-d][1,3]oxazin-4-one
CID 160958150
4-methyl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)naphthalene-1-carboxamide
CID 167914935
ethane;5-methyl-2-(naphthalene-1-carbonylamino)benzoic acid
CID 143144416
3-[(2,6-dimethylpyridine-3-carbonyl)amino]pyridine-2-carboxylic acid
CID 104740370
N-(2,5-dimethylphenyl)naphthalene-1-carboxamide
CID 1278696
2-methyl-N-(2-methylquinolin-4-yl)benzamide
CID 3291896
N-(2-methyl-5-methylsulfonylphenyl)quinoline-5-carboxamide
CID 43040079

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylnaphthalene-1-carbonyl)amino]-6-methylsulfonylpyridine-2-carboxylic acid?
The IUPAC name of 3-[(4-methylnaphthalene-1-carbonyl)amino]-6-methylsulfonylpyridine-2-carboxylic acid (CID 68977534) is 3-[(4-methylnaphthalene-1-carbonyl)amino]-6-methylsulfonylpyridine-2-carboxylic acid.
What is the SMILES notation for 3-[(4-methylnaphthalene-1-carbonyl)amino]-6-methylsulfonylpyridine-2-carboxylic acid?
The canonical SMILES for 3-[(4-methylnaphthalene-1-carbonyl)amino]-6-methylsulfonylpyridine-2-carboxylic acid is Cc1ccc(C(=O)Nc2ccc(S(C)(=O)=O)nc2C(=O)O)c2ccccc12.
What is the InChIKey of 3-[(4-methylnaphthalene-1-carbonyl)amino]-6-methylsulfonylpyridine-2-carboxylic acid?
The InChIKey is QSYQVMLYZMGSOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O5S/c1-11-7-8-14(13-6-4-3-5-12(11)13)18(22)20-15-9-10-16(27(2,25)26)21-17(15)19(23)24/h3-10H,1-2H3,(H,20,22)(H,23,24).
What are the key properties of 3-[(4-methylnaphthalene-1-carbonyl)amino]-6-methylsulfonylpyridine-2-carboxylic acid?
3-[(4-methylnaphthalene-1-carbonyl)amino]-6-methylsulfonylpyridine-2-carboxylic acid has a molecular weight of 384.41 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylnaphthalene-1-carbonyl)amino]-6-methylsulfonylpyridine-2-carboxylic acid is sourced from PubChem (CID 68977534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).