tert-butyl N-[6-(5-cyano-3-pyridinyl)-2-methyl-3-pyridinyl]carbamate

C17H18N4O2 — CID 130471260

IUPACtert-butyl N-[6-(5-cyano-3-pyridinyl)-2-methyl-3-pyridinyl]carbamate
SMILESCc1nc(-c2cncc(C#N)c2)ccc1NC(=O)OC(C)(C)C
InChIInChI=1S/C17H18N4O2/c1-11-14(21-16(22)23-17(2,3)4)5-6-15(20-11)13-7-12(8-18)9-19-10-13/h5-7,9-10H,1-4H3,(H,21,22)
InChIKeyZOXOAIALYDCUMR-UHFFFAOYSA-N
MW310.36 g/mol
LogP3.67
Rot. Bonds2

About tert-butyl N-[6-(5-cyano-3-pyridinyl)-2-methyl-3-pyridinyl]carbamate

tert-butyl N-[6-(5-cyano-3-pyridinyl)-2-methyl-3-pyridinyl]carbamate (PubChem CID 130471260) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is tert-butyl N-[6-(5-cyano-3-pyridinyl)-2-methyl-3-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[6-(5-cyano-3-pyridinyl)-2-methyl-3-pyridinyl]carbamate
PubChem CID130471260
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Nametert-butyl N-[6-(5-cyano-3-pyridinyl)-2-methyl-3-pyridinyl]carbamate
SMILESCc1nc(-c2cncc(C#N)c2)ccc1NC(=O)OC(C)(C)C
InChIInChI=1S/C17H18N4O2/c1-11-14(21-16(22)23-17(2,3)4)5-6-15(20-11)13-7-12(8-18)9-19-10-13/h5-7,9-10H,1-4H3,(H,21,22)
InChIKeyZOXOAIALYDCUMR-UHFFFAOYSA-N
XLogP3.67
TPSA87.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-(6-bromo-2-methyl-3-pyridinyl)carbamate
CID 75487739
tert-butyl N-(6-amino-2-methyl-3-pyridinyl)carbamate
CID 82342800
tert-butyl N-[2-(1-aminoethyl)-4-cyanophenyl]carbamate
CID 174337768
tert-butyl N-[2-chloro-4-(6-methylpyrazin-2-yl)phenyl]carbamate
CID 101043683
tert-butyl N-(2-amino-5-cyanophenyl)carbamate
CID 18545768
tert-butyl N-(3-methyl-5-pyrimidin-5-ylpyrazin-2-yl)carbamate
CID 138494591
tert-butyl N-(6-cyano-1-iodonaphthalen-2-yl)carbamate
CID 57343042
3-methyl-5-[6-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]triazole-4-carboxylic acid
CID 162377851
N-[6-(5-cyano-3-pyridinyl)-2-[[2,6-dimethyl-5-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]methanesulfonamide
CID 176830696
ethyl 2-[2-cyano-6-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]acetate
CID 123702114
tert-butyl N-(5-cyano-1,3-benzothiazol-2-yl)carbamate
CID 137332820
tert-butyl N-[6-[4-[(6-cyclopropyloxypyrazin-2-yl)amino]-3-methyl-1,2-oxazol-5-yl]-2-methyl-3-pyridinyl]carbamate
CID 168949225

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[6-(5-cyano-3-pyridinyl)-2-methyl-3-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[6-(5-cyano-3-pyridinyl)-2-methyl-3-pyridinyl]carbamate (CID 130471260) is tert-butyl N-[6-(5-cyano-3-pyridinyl)-2-methyl-3-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[6-(5-cyano-3-pyridinyl)-2-methyl-3-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[6-(5-cyano-3-pyridinyl)-2-methyl-3-pyridinyl]carbamate is Cc1nc(-c2cncc(C#N)c2)ccc1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[6-(5-cyano-3-pyridinyl)-2-methyl-3-pyridinyl]carbamate?
The InChIKey is ZOXOAIALYDCUMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-11-14(21-16(22)23-17(2,3)4)5-6-15(20-11)13-7-12(8-18)9-19-10-13/h5-7,9-10H,1-4H3,(H,21,22).
What are the key properties of tert-butyl N-[6-(5-cyano-3-pyridinyl)-2-methyl-3-pyridinyl]carbamate?
tert-butyl N-[6-(5-cyano-3-pyridinyl)-2-methyl-3-pyridinyl]carbamate has a molecular weight of 310.36 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[6-(5-cyano-3-pyridinyl)-2-methyl-3-pyridinyl]carbamate is sourced from PubChem (CID 130471260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).