6-(cyclopropanecarbonylamino)-N-methyl-4-(2-methylsulfonylanilino)pyridine-3-carboxamide

C18H20N4O4S — CID 118072307

IUPAC6-(cyclopropanecarbonylamino)-N-methyl-4-(2-methylsulfonylanilino)pyridine-3-carboxamide
SMILESCNC(=O)c1cnc(NC(=O)C2CC2)cc1Nc1ccccc1S(C)(=O)=O
InChIInChI=1S/C18H20N4O4S/c1-19-18(24)12-10-20-16(22-17(23)11-7-8-11)9-14(12)21-13-5-3-4-6-15(13)27(2,25)26/h3-6,9-11H,7-8H2,1-2H3,(H,19,24)(H2,20,21,22,23)
InChIKeyYGFJMLGZTAWLOO-UHFFFAOYSA-N
MW388.45 g/mol
LogP1.94
Rot. Bonds6

About 6-(cyclopropanecarbonylamino)-N-methyl-4-(2-methylsulfonylanilino)pyridine-3-carboxamide

6-(cyclopropanecarbonylamino)-N-methyl-4-(2-methylsulfonylanilino)pyridine-3-carboxamide (PubChem CID 118072307) has the molecular formula C18H20N4O4S and a molecular weight of 388.45 g/mol. Its IUPAC name is 6-(cyclopropanecarbonylamino)-N-methyl-4-(2-methylsulfonylanilino)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(cyclopropanecarbonylamino)-N-methyl-4-(2-methylsulfonylanilino)pyridine-3-carboxamide
PubChem CID118072307
Molecular FormulaC18H20N4O4S
Molecular Weight388.45 g/mol
Exact Mass388.12
IUPAC Name6-(cyclopropanecarbonylamino)-N-methyl-4-(2-methylsulfonylanilino)pyridine-3-carboxamide
SMILESCNC(=O)c1cnc(NC(=O)C2CC2)cc1Nc1ccccc1S(C)(=O)=O
InChIInChI=1S/C18H20N4O4S/c1-19-18(24)12-10-20-16(22-17(23)11-7-8-11)9-14(12)21-13-5-3-4-6-15(13)27(2,25)26/h3-6,9-11H,7-8H2,1-2H3,(H,19,24)(H2,20,21,22,23)
InChIKeyYGFJMLGZTAWLOO-UHFFFAOYSA-N
XLogP1.94
TPSA117.26 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropanecarbonylamino)-N-methyl-4-(2-methylsulfonylanilino)pyridine-3-carboxamide?
The IUPAC name of 6-(cyclopropanecarbonylamino)-N-methyl-4-(2-methylsulfonylanilino)pyridine-3-carboxamide (CID 118072307) is 6-(cyclopropanecarbonylamino)-N-methyl-4-(2-methylsulfonylanilino)pyridine-3-carboxamide.
What is the SMILES notation for 6-(cyclopropanecarbonylamino)-N-methyl-4-(2-methylsulfonylanilino)pyridine-3-carboxamide?
The canonical SMILES for 6-(cyclopropanecarbonylamino)-N-methyl-4-(2-methylsulfonylanilino)pyridine-3-carboxamide is CNC(=O)c1cnc(NC(=O)C2CC2)cc1Nc1ccccc1S(C)(=O)=O.
What is the InChIKey of 6-(cyclopropanecarbonylamino)-N-methyl-4-(2-methylsulfonylanilino)pyridine-3-carboxamide?
The InChIKey is YGFJMLGZTAWLOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O4S/c1-19-18(24)12-10-20-16(22-17(23)11-7-8-11)9-14(12)21-13-5-3-4-6-15(13)27(2,25)26/h3-6,9-11H,7-8H2,1-2H3,(H,19,24)(H2,20,21,22,23).
What are the key properties of 6-(cyclopropanecarbonylamino)-N-methyl-4-(2-methylsulfonylanilino)pyridine-3-carboxamide?
6-(cyclopropanecarbonylamino)-N-methyl-4-(2-methylsulfonylanilino)pyridine-3-carboxamide has a molecular weight of 388.45 g/mol, XLogP of 1.94, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropanecarbonylamino)-N-methyl-4-(2-methylsulfonylanilino)pyridine-3-carboxamide is sourced from PubChem (CID 118072307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).