5-cyano-N-(3-methoxy-2,2-dimethylcyclobutyl)pyridine-2-carboxamide

C14H17N3O2 — CID 103742322

IUPAC5-cyano-N-(3-methoxy-2,2-dimethylcyclobutyl)pyridine-2-carboxamide
SMILESCOC1CC(NC(=O)c2ccc(C#N)cn2)C1(C)C
InChIInChI=1S/C14H17N3O2/c1-14(2)11(6-12(14)19-3)17-13(18)10-5-4-9(7-15)8-16-10/h4-5,8,11-12H,6H2,1-3H3,(H,17,18)
InChIKeyCVBPEBZBCCUJEF-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.50
Rot. Bonds3

About 5-cyano-N-(3-methoxy-2,2-dimethylcyclobutyl)pyridine-2-carboxamide

5-cyano-N-(3-methoxy-2,2-dimethylcyclobutyl)pyridine-2-carboxamide (PubChem CID 103742322) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 5-cyano-N-(3-methoxy-2,2-dimethylcyclobutyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N-(3-methoxy-2,2-dimethylcyclobutyl)pyridine-2-carboxamide
PubChem CID103742322
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name5-cyano-N-(3-methoxy-2,2-dimethylcyclobutyl)pyridine-2-carboxamide
SMILESCOC1CC(NC(=O)c2ccc(C#N)cn2)C1(C)C
InChIInChI=1S/C14H17N3O2/c1-14(2)11(6-12(14)19-3)17-13(18)10-5-4-9(7-15)8-16-10/h4-5,8,11-12H,6H2,1-3H3,(H,17,18)
InChIKeyCVBPEBZBCCUJEF-UHFFFAOYSA-N
XLogP1.50
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-cyano-N-(3-methoxycyclobutyl)pyridine-2-carboxamide
CID 104578357
4-chloro-N-(3-methoxy-2,2-dimethylcyclobutyl)pyridine-2-carboxamide
CID 103742275
5-cyano-N-(3,4-dimethylcyclohexyl)pyridine-2-carboxamide
CID 64741358
5-cyano-N-(3-ethylcyclohexyl)pyridine-2-carboxamide
CID 64748832
N-(2-chlorocyclopentyl)-5-cyanopyridine-2-carboxamide
CID 106443960
chloro 5-cyanopyridine-2-carboxylate
CID 90373029
5-cyano-N-[(1-methoxycyclobutyl)methyl]pyridine-2-carboxamide
CID 113362666
5-cyano-N-[(2-methylpropan-2-yl)oxy]pyridine-2-carboxamide
CID 103868637
5-cyano-N-(3,5-dimethoxyphenyl)pyridine-2-carboxamide
CID 63716894
5-cyano-N-(cyclopentylmethyl)pyridine-2-carboxamide
CID 63718941
5-cyano-N-[(1-methylcyclohexyl)methyl]pyridine-2-carboxamide
CID 103753315
5-cyano-N-(2,4,5-trimethylphenyl)pyridine-2-carboxamide
CID 115116632

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-(3-methoxy-2,2-dimethylcyclobutyl)pyridine-2-carboxamide?
The IUPAC name of 5-cyano-N-(3-methoxy-2,2-dimethylcyclobutyl)pyridine-2-carboxamide (CID 103742322) is 5-cyano-N-(3-methoxy-2,2-dimethylcyclobutyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-cyano-N-(3-methoxy-2,2-dimethylcyclobutyl)pyridine-2-carboxamide?
The canonical SMILES for 5-cyano-N-(3-methoxy-2,2-dimethylcyclobutyl)pyridine-2-carboxamide is COC1CC(NC(=O)c2ccc(C#N)cn2)C1(C)C.
What is the InChIKey of 5-cyano-N-(3-methoxy-2,2-dimethylcyclobutyl)pyridine-2-carboxamide?
The InChIKey is CVBPEBZBCCUJEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-14(2)11(6-12(14)19-3)17-13(18)10-5-4-9(7-15)8-16-10/h4-5,8,11-12H,6H2,1-3H3,(H,17,18).
What are the key properties of 5-cyano-N-(3-methoxy-2,2-dimethylcyclobutyl)pyridine-2-carboxamide?
5-cyano-N-(3-methoxy-2,2-dimethylcyclobutyl)pyridine-2-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-(3-methoxy-2,2-dimethylcyclobutyl)pyridine-2-carboxamide is sourced from PubChem (CID 103742322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).