6-[[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]carbamoyl]pyridine-2-carboxylic acid

C19H19N3O4S — CID 119183235

IUPAC6-[[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]carbamoyl]pyridine-2-carboxylic acid
SMILESCc1cc(C(=O)N2CCSCC2)ccc1NC(=O)c1cccc(C(=O)O)n1
InChIInChI=1S/C19H19N3O4S/c1-12-11-13(18(24)22-7-9-27-10-8-22)5-6-14(12)21-17(23)15-3-2-4-16(20-15)19(25)26/h2-6,11H,7-10H2,1H3,(H,21,23)(H,25,26)
InChIKeyXMDVFNHSDFMNJZ-UHFFFAOYSA-N
MW385.45 g/mol
LogP2.53
Rot. Bonds4

About 6-[[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]carbamoyl]pyridine-2-carboxylic acid

6-[[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]carbamoyl]pyridine-2-carboxylic acid (PubChem CID 119183235) has the molecular formula C19H19N3O4S and a molecular weight of 385.45 g/mol. Its IUPAC name is 6-[[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]carbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]carbamoyl]pyridine-2-carboxylic acid
PubChem CID119183235
Molecular FormulaC19H19N3O4S
Molecular Weight385.45 g/mol
Exact Mass385.11
IUPAC Name6-[[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]carbamoyl]pyridine-2-carboxylic acid
SMILESCc1cc(C(=O)N2CCSCC2)ccc1NC(=O)c1cccc(C(=O)O)n1
InChIInChI=1S/C19H19N3O4S/c1-12-11-13(18(24)22-7-9-27-10-8-22)5-6-14(12)21-17(23)15-3-2-4-16(20-15)19(25)26/h2-6,11H,7-10H2,1H3,(H,21,23)(H,25,26)
InChIKeyXMDVFNHSDFMNJZ-UHFFFAOYSA-N
XLogP2.53
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-[[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]carbamoyl]pyridine-2-carboxylic 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

2-methyl-N-[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]quinoline-4-carboxamide
CID 60617448
(4-hydrazinyl-3-methylphenyl)-thiomorpholin-4-ylmethanone
CID 63211977
4-methyl-N-[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 71880545
2-(methylamino)-N-[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]acetamide;hydrochloride
CID 119761416
2-[[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120975715
4-[(6-chloropyridine-2-carbonyl)amino]-3-methylbenzoic acid
CID 62239229
N-(2,4-dimethylphenyl)-6-(4-methylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109095478
N-[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]-2-(trifluoromethylsulfanyl)acetamide
CID 51132350
[3-methyl-4-(prop-2-ynylamino)phenyl]-thiomorpholin-4-ylmethanone
CID 71858060
N-[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]pyrrolidine-3-carboxamide
CID 119761439
2-(aminomethyl)-N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]-1,3-thiazole-4-carboxamide
CID 119759911
6-[[4-(azepane-1-carbonyl)phenyl]carbamoyl]pyridine-2-carboxylic acid
CID 119181942

Frequently Asked Questions

What is the IUPAC name of 6-[[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]carbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]carbamoyl]pyridine-2-carboxylic acid (CID 119183235) is 6-[[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]carbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]carbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]carbamoyl]pyridine-2-carboxylic acid is Cc1cc(C(=O)N2CCSCC2)ccc1NC(=O)c1cccc(C(=O)O)n1.
What is the InChIKey of 6-[[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]carbamoyl]pyridine-2-carboxylic acid?
The InChIKey is XMDVFNHSDFMNJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4S/c1-12-11-13(18(24)22-7-9-27-10-8-22)5-6-14(12)21-17(23)15-3-2-4-16(20-15)19(25)26/h2-6,11H,7-10H2,1H3,(H,21,23)(H,25,26).
What are the key properties of 6-[[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]carbamoyl]pyridine-2-carboxylic acid?
6-[[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]carbamoyl]pyridine-2-carboxylic acid has a molecular weight of 385.45 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]carbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 119183235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).