(6-methyl-3-pyridinyl)-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone

C13H16N6O — CID 110196479

IUPAC(6-methyl-3-pyridinyl)-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCCC(c3nn[nH]n3)C2)cn1
InChIInChI=1S/C13H16N6O/c1-9-4-5-10(7-14-9)13(20)19-6-2-3-11(8-19)12-15-17-18-16-12/h4-5,7,11H,2-3,6,8H2,1H3,(H,15,16,17,18)
InChIKeyWJQFNADMWUTDPJ-UHFFFAOYSA-N
MW272.31 g/mol
LogP0.92
Rot. Bonds2

About (6-methyl-3-pyridinyl)-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone

(6-methyl-3-pyridinyl)-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone (PubChem CID 110196479) has the molecular formula C13H16N6O and a molecular weight of 272.31 g/mol. Its IUPAC name is (6-methyl-3-pyridinyl)-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(6-methyl-3-pyridinyl)-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone
PubChem CID110196479
Molecular FormulaC13H16N6O
Molecular Weight272.31 g/mol
Exact Mass272.14
IUPAC Name(6-methyl-3-pyridinyl)-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCCC(c3nn[nH]n3)C2)cn1
InChIInChI=1S/C13H16N6O/c1-9-4-5-10(7-14-9)13(20)19-6-2-3-11(8-19)12-15-17-18-16-12/h4-5,7,11H,2-3,6,8H2,1H3,(H,15,16,17,18)
InChIKeyWJQFNADMWUTDPJ-UHFFFAOYSA-N
XLogP0.92
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-N'-[(Z)-(1-methyl-1H-pyrrol-2-yl)methylidene]pyridine-3-carbohydrazide
CID 5405100
(Z)-6-methyl-N'-(pyridin-2-ylmethylene)nicotinohydrazide
CID 5397299
N-[(E)-[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]methylideneamino]pyridine-3-carboxamide
CID 6905932
N,N'-(iminodipropane-3,1-diyl)bis(6-methylpyridine-3-carboxamide)
CID 664534
6-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine-3-carboxamide
CID 47404870
N-({1-[(5-ethylpyridin-2-yl)methyl]pyrrolidin-3-yl}methyl)-6-methylnicotinamide
CID 56711778
US10577360, Example 36
CID 138584981
[2-Methyl-6-(trifluoromethyl)-3-pyridinyl]-(4-pyrrol-1-ylpiperidin-1-yl)methanone
CID 2809755
N-methyl-N-(pyridin-3-ylmethyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 45867185
(1-Methyl-5-propylpyrazol-4-yl)-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
CID 56813349
5-methyl-N-[1-(2H-tetrazol-5-yl)butyl]pyridine-3-carboxamide
CID 71920433
[3-(1,2,4-Triazol-1-yl)piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 72143099

Frequently Asked Questions

What is the IUPAC name of (6-methyl-3-pyridinyl)-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of (6-methyl-3-pyridinyl)-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone (CID 110196479) is (6-methyl-3-pyridinyl)-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (6-methyl-3-pyridinyl)-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for (6-methyl-3-pyridinyl)-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone is Cc1ccc(C(=O)N2CCCC(c3nn[nH]n3)C2)cn1.
What is the InChIKey of (6-methyl-3-pyridinyl)-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is WJQFNADMWUTDPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O/c1-9-4-5-10(7-14-9)13(20)19-6-2-3-11(8-19)12-15-17-18-16-12/h4-5,7,11H,2-3,6,8H2,1H3,(H,15,16,17,18).
What are the key properties of (6-methyl-3-pyridinyl)-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone?
(6-methyl-3-pyridinyl)-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 272.31 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-3-pyridinyl)-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 110196479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).