N,N-dimethyl-5-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]pyridin-2-amine

C14H15N7O2S — CID 122694237

IUPACN,N-dimethyl-5-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]pyridin-2-amine
SMILESCN(C)c1ccc(-c2ccnc(S(C)(=O)=O)c2-c2nn[nH]n2)cn1
InChIInChI=1S/C14H15N7O2S/c1-21(2)11-5-4-9(8-16-11)10-6-7-15-14(24(3,22)23)12(10)13-17-19-20-18-13/h4-8H,1-3H3,(H,17,18,19,20)
InChIKeyKTZIEHIYMZVTCW-UHFFFAOYSA-N
MW345.39 g/mol
LogP0.79
Rot. Bonds4

About N,N-dimethyl-5-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]pyridin-2-amine

N,N-dimethyl-5-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]pyridin-2-amine (PubChem CID 122694237) has the molecular formula C14H15N7O2S and a molecular weight of 345.39 g/mol. Its IUPAC name is N,N-dimethyl-5-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]pyridin-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-5-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]pyridin-2-amine
PubChem CID122694237
Molecular FormulaC14H15N7O2S
Molecular Weight345.39 g/mol
Exact Mass345.10
IUPAC NameN,N-dimethyl-5-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]pyridin-2-amine
SMILESCN(C)c1ccc(-c2ccnc(S(C)(=O)=O)c2-c2nn[nH]n2)cn1
InChIInChI=1S/C14H15N7O2S/c1-21(2)11-5-4-9(8-16-11)10-6-7-15-14(24(3,22)23)12(10)13-17-19-20-18-13/h4-8H,1-3H3,(H,17,18,19,20)
InChIKeyKTZIEHIYMZVTCW-UHFFFAOYSA-N
XLogP0.79
TPSA117.62 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.39
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-[5-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-2-pyridinyl]morpholine
CID 122694161
6-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]quinoline
CID 122694184
4-(2-methylphenyl)-2-methylsulfonyl-3-(2H-tetrazol-5-yl)pyridine
CID 122694234
4-[2-sulfamoyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]benzamide
CID 118256777
S-[3-(6-amino-3-pyridinyl)-6-methylsulfinyl-2-(2H-tetrazol-5-yl)phenyl]thiohydroxylamine
CID 145214498
6-bromo-3-(4-methylphenyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 118266420
[6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]isoquinolin-1-yl]methanamine
CID 122694258
3-[4-(aminomethyl)phenyl]-6-bromo-2-(2H-tetrazol-5-yl)benzenesulfonamide;ethane
CID 144893208
4-(4-carbamoylphenyl)-2,3-bis[6-(dimethylamino)-3-pyridinyl]benzamide
CID 174224413
2-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyrimidine
CID 122694084
3-(6-methoxy-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 118266069
5-[2-methylsulfonyl-6-[4-(triazol-2-yl)phenyl]phenyl]-2H-tetrazole
CID 122694052

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]pyridin-2-amine?
The IUPAC name of N,N-dimethyl-5-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]pyridin-2-amine (CID 122694237) is N,N-dimethyl-5-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]pyridin-2-amine.
What is the SMILES notation for N,N-dimethyl-5-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]pyridin-2-amine?
The canonical SMILES for N,N-dimethyl-5-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]pyridin-2-amine is CN(C)c1ccc(-c2ccnc(S(C)(=O)=O)c2-c2nn[nH]n2)cn1.
What is the InChIKey of N,N-dimethyl-5-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]pyridin-2-amine?
The InChIKey is KTZIEHIYMZVTCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N7O2S/c1-21(2)11-5-4-9(8-16-11)10-6-7-15-14(24(3,22)23)12(10)13-17-19-20-18-13/h4-8H,1-3H3,(H,17,18,19,20).
What are the key properties of N,N-dimethyl-5-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]pyridin-2-amine?
N,N-dimethyl-5-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]pyridin-2-amine has a molecular weight of 345.39 g/mol, XLogP of 0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]pyridin-2-amine is sourced from PubChem (CID 122694237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).