2-methyl-5-methylsulfonyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]benzamide

C17H17N5O3S — CID 55721134

IUPAC2-methyl-5-methylsulfonyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]benzamide
SMILESCc1ccc(S(C)(=O)=O)cc1C(=O)NCc1cccnc1-n1cncn1
InChIInChI=1S/C17H17N5O3S/c1-12-5-6-14(26(2,24)25)8-15(12)17(23)20-9-13-4-3-7-19-16(13)22-11-18-10-21-22/h3-8,10-11H,9H2,1-2H3,(H,20,23)
InChIKeyOXENDYIYNCHHDN-UHFFFAOYSA-N
MW371.42 g/mol
LogP1.30
Rot. Bonds5

About 2-methyl-5-methylsulfonyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]benzamide

2-methyl-5-methylsulfonyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]benzamide (PubChem CID 55721134) has the molecular formula C17H17N5O3S and a molecular weight of 371.42 g/mol. Its IUPAC name is 2-methyl-5-methylsulfonyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]benzamide.

Molecular Properties

Compound Name2-methyl-5-methylsulfonyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]benzamide
PubChem CID55721134
Molecular FormulaC17H17N5O3S
Molecular Weight371.42 g/mol
Exact Mass371.11
IUPAC Name2-methyl-5-methylsulfonyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]benzamide
SMILESCc1ccc(S(C)(=O)=O)cc1C(=O)NCc1cccnc1-n1cncn1
InChIInChI=1S/C17H17N5O3S/c1-12-5-6-14(26(2,24)25)8-15(12)17(23)20-9-13-4-3-7-19-16(13)22-11-18-10-21-22/h3-8,10-11H,9H2,1-2H3,(H,20,23)
InChIKeyOXENDYIYNCHHDN-UHFFFAOYSA-N
XLogP1.30
TPSA106.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-chloro-2-methyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]quinoline-3-carboxamide
CID 47036764
7-fluoro-2,3-dimethyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]quinoxaline-5-carboxamide
CID 47057006
N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]benzo[f]quinoline-5-carboxamide
CID 55841050
2-(1,2,4-triazol-1-yl)-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyridine-4-carboxamide
CID 51091803
5-[(2-chlorobenzoyl)amino]-3-methyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]thiophene-2-carboxamide
CID 55840655
3-methyl-4-(tetrazol-1-yl)-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]benzamide
CID 47036805
1-(3-chloro-4-methylphenyl)-5-cyclopropyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyrazole-4-carboxamide
CID 55720282
5-methyl-4-pyrrolidin-1-ylsulfonyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]furan-2-carboxamide
CID 47056990
2-propyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyridine-4-carboxamide
CID 50973850
5-methyl-3-phenyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]-1H-pyrazole-4-carboxamide
CID 154822330
3-[(3,4-difluorophenyl)sulfonylamino]-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]propanamide
CID 55720237
3-(naphthalen-2-ylsulfonylamino)-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]propanamide
CID 55720222

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-methylsulfonyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]benzamide?
The IUPAC name of 2-methyl-5-methylsulfonyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]benzamide (CID 55721134) is 2-methyl-5-methylsulfonyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]benzamide.
What is the SMILES notation for 2-methyl-5-methylsulfonyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]benzamide?
The canonical SMILES for 2-methyl-5-methylsulfonyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]benzamide is Cc1ccc(S(C)(=O)=O)cc1C(=O)NCc1cccnc1-n1cncn1.
What is the InChIKey of 2-methyl-5-methylsulfonyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]benzamide?
The InChIKey is OXENDYIYNCHHDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O3S/c1-12-5-6-14(26(2,24)25)8-15(12)17(23)20-9-13-4-3-7-19-16(13)22-11-18-10-21-22/h3-8,10-11H,9H2,1-2H3,(H,20,23).
What are the key properties of 2-methyl-5-methylsulfonyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]benzamide?
2-methyl-5-methylsulfonyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]benzamide has a molecular weight of 371.42 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-methylsulfonyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]benzamide is sourced from PubChem (CID 55721134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).