6-methylsulfonyl-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyridine-2-carboxamide

C19H21N5O3S — CID 139350696

IUPAC6-methylsulfonyl-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyridine-2-carboxamide
SMILESC[C@H](Cc1nncn1C)c1cccc(NC(=O)c2cccc(S(C)(=O)=O)n2)c1
InChIInChI=1S/C19H21N5O3S/c1-13(10-17-23-20-12-24(17)2)14-6-4-7-15(11-14)21-19(25)16-8-5-9-18(22-16)28(3,26)27/h4-9,11-13H,10H2,1-3H3,(H,21,25)/t13-/m1/s1
InChIKeyWSTVTYVVQYPUPO-CYBMUJFWSA-N
MW399.48 g/mol
LogP2.21
Rot. Bonds6

About 6-methylsulfonyl-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyridine-2-carboxamide

6-methylsulfonyl-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyridine-2-carboxamide (PubChem CID 139350696) has the molecular formula C19H21N5O3S and a molecular weight of 399.48 g/mol. Its IUPAC name is 6-methylsulfonyl-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-methylsulfonyl-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyridine-2-carboxamide
PubChem CID139350696
Molecular FormulaC19H21N5O3S
Molecular Weight399.48 g/mol
Exact Mass399.14
IUPAC Name6-methylsulfonyl-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyridine-2-carboxamide
SMILESC[C@H](Cc1nncn1C)c1cccc(NC(=O)c2cccc(S(C)(=O)=O)n2)c1
InChIInChI=1S/C19H21N5O3S/c1-13(10-17-23-20-12-24(17)2)14-6-4-7-15(11-14)21-19(25)16-8-5-9-18(22-16)28(3,26)27/h4-9,11-13H,10H2,1-3H3,(H,21,25)/t13-/m1/s1
InChIKeyWSTVTYVVQYPUPO-CYBMUJFWSA-N
XLogP2.21
TPSA106.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.48
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-methylsulfonyl-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyridine-2-carboxamide?
The IUPAC name of 6-methylsulfonyl-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyridine-2-carboxamide (CID 139350696) is 6-methylsulfonyl-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-methylsulfonyl-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyridine-2-carboxamide?
The canonical SMILES for 6-methylsulfonyl-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyridine-2-carboxamide is C[C@H](Cc1nncn1C)c1cccc(NC(=O)c2cccc(S(C)(=O)=O)n2)c1.
What is the InChIKey of 6-methylsulfonyl-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyridine-2-carboxamide?
The InChIKey is WSTVTYVVQYPUPO-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H21N5O3S/c1-13(10-17-23-20-12-24(17)2)14-6-4-7-15(11-14)21-19(25)16-8-5-9-18(22-16)28(3,26)27/h4-9,11-13H,10H2,1-3H3,(H,21,25)/t13-/m1/s1.
What are the key properties of 6-methylsulfonyl-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyridine-2-carboxamide?
6-methylsulfonyl-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyridine-2-carboxamide has a molecular weight of 399.48 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylsulfonyl-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 139350696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).