tert-butyl N-[5-(6-cyano-2-methyl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamate

C18H18N6O2 — CID 140850306

IUPACtert-butyl N-[5-(6-cyano-2-methyl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamate
SMILESCc1nc(C#N)ccc1-c1cc(NC(=O)OC(C)(C)C)cc2ncnn12
InChIInChI=1S/C18H18N6O2/c1-11-14(6-5-12(9-19)22-11)15-7-13(8-16-20-10-21-24(15)16)23-17(25)26-18(2,3)4/h5-8,10H,1-4H3,(H,23,25)
InChIKeyNOFKFQWKTAHYMK-UHFFFAOYSA-N
MW350.38 g/mol
LogP3.32
Rot. Bonds2

About tert-butyl N-[5-(6-cyano-2-methyl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamate

tert-butyl N-[5-(6-cyano-2-methyl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamate (PubChem CID 140850306) has the molecular formula C18H18N6O2 and a molecular weight of 350.38 g/mol. Its IUPAC name is tert-butyl N-[5-(6-cyano-2-methyl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-(6-cyano-2-methyl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamate
PubChem CID140850306
Molecular FormulaC18H18N6O2
Molecular Weight350.38 g/mol
Exact Mass350.15
IUPAC Nametert-butyl N-[5-(6-cyano-2-methyl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamate
SMILESCc1nc(C#N)ccc1-c1cc(NC(=O)OC(C)(C)C)cc2ncnn12
InChIInChI=1S/C18H18N6O2/c1-11-14(6-5-12(9-19)22-11)15-7-13(8-16-20-10-21-24(15)16)23-17(25)26-18(2,3)4/h5-8,10H,1-4H3,(H,23,25)
InChIKeyNOFKFQWKTAHYMK-UHFFFAOYSA-N
XLogP3.32
TPSA105.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze tert-butyl N-[5-(6-cyano-2-methyl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamate with MolForge

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Related Compounds

N-[5-(4-cyanophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]acetamide
CID 122540630
tert-butyl N-[3-methyl-4-[2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]phenyl]carbamate
CID 132820274
ethyl 6-cyano-1-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]naphthalen-1-yl]methyl]pyrrolo[2,3-b]pyridine-2-carboxylate
CID 172528483
tert-butyl N-(3-tert-butyl-5-cyanophenyl)carbamate
CID 58902321
tert-butyl N-([1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamate;ethyl formate
CID 160959566
tert-butyl N-[4-[(6-cyanonaphthalen-2-yl)methoxy]phenyl]carbamate
CID 139833156
tert-butyl N-[3-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamate
CID 123753749
tert-butyl N-(4-amino-3-cyano-5-methylphenyl)carbamate
CID 82013863
tert-butyl N-(2,6-dibromo-4-pyridinyl)carbamate
CID 121232345
tert-butyl N-(3,5-dimethylphenyl)carbamate;ethane
CID 143766104
tert-butyl N-(7-cyanopyrazolo[1,5-a]pyridin-4-yl)carbamate
CID 58746070
tert-butyl N-[3-(4-cyanophenoxy)-5-hydroxyphenyl]carbamate
CID 66818758

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-(6-cyano-2-methyl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamate?
The IUPAC name of tert-butyl N-[5-(6-cyano-2-methyl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamate (CID 140850306) is tert-butyl N-[5-(6-cyano-2-methyl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamate.
What is the SMILES notation for tert-butyl N-[5-(6-cyano-2-methyl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamate?
The canonical SMILES for tert-butyl N-[5-(6-cyano-2-methyl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamate is Cc1nc(C#N)ccc1-c1cc(NC(=O)OC(C)(C)C)cc2ncnn12.
What is the InChIKey of tert-butyl N-[5-(6-cyano-2-methyl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamate?
The InChIKey is NOFKFQWKTAHYMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O2/c1-11-14(6-5-12(9-19)22-11)15-7-13(8-16-20-10-21-24(15)16)23-17(25)26-18(2,3)4/h5-8,10H,1-4H3,(H,23,25).
What are the key properties of tert-butyl N-[5-(6-cyano-2-methyl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamate?
tert-butyl N-[5-(6-cyano-2-methyl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamate has a molecular weight of 350.38 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-(6-cyano-2-methyl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamate is sourced from PubChem (CID 140850306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).