2-(tert-butylamino)-3,5-dimethylpyridine-4-carbonitrile

C12H17N3 — CID 138475559

IUPAC2-(tert-butylamino)-3,5-dimethylpyridine-4-carbonitrile
SMILESCc1cnc(NC(C)(C)C)c(C)c1C#N
InChIInChI=1S/C12H17N3/c1-8-7-14-11(15-12(3,4)5)9(2)10(8)6-13/h7H,1-5H3,(H,14,15)
InChIKeyGPLBPNJYYMYNMW-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.78
Rot. Bonds1

About 2-(tert-butylamino)-3,5-dimethylpyridine-4-carbonitrile

2-(tert-butylamino)-3,5-dimethylpyridine-4-carbonitrile (PubChem CID 138475559) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is 2-(tert-butylamino)-3,5-dimethylpyridine-4-carbonitrile.

Molecular Properties

Compound Name2-(tert-butylamino)-3,5-dimethylpyridine-4-carbonitrile
PubChem CID138475559
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name2-(tert-butylamino)-3,5-dimethylpyridine-4-carbonitrile
SMILESCc1cnc(NC(C)(C)C)c(C)c1C#N
InChIInChI=1S/C12H17N3/c1-8-7-14-11(15-12(3,4)5)9(2)10(8)6-13/h7H,1-5H3,(H,14,15)
InChIKeyGPLBPNJYYMYNMW-UHFFFAOYSA-N
XLogP2.78
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(ethylamino)-4,5-dimethylpyridine-3-carbonitrile
CID 102345603
2-(tert-butylamino)pyridine-3,4-dicarbonitrile
CID 10442777
5-bromo-2-(tert-butylamino)pyridine-3-carbonitrile
CID 76847706
2-amino-4,5-dimethylpyridine-3-carbonitrile
CID 90296601
2-bromo-4,5-dimethylpyridine-3-carbonitrile
CID 12919740
N-tert-butyl-5-tert-butylsulfanyl-3-methylpyridin-2-amine
CID 102545114
4-N-tert-butyl-2-N-ethyl-5-methylpyrimidine-2,4-diamine
CID 80769091
5-amino-6-(tert-butylamino)pyrazine-2,3-dicarbonitrile
CID 14576437
4-methyl-2-(3-methylpentan-3-ylamino)pyridine-3-carbonitrile
CID 106328949
(3,4,5-trimethyl-2-pyridinyl)hydrazine
CID 59320164
2,6-ditert-butyl-4-methylpyridine-3,5-dicarbonitrile
CID 852569
2-(tert-butylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 78966207

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-3,5-dimethylpyridine-4-carbonitrile?
The IUPAC name of 2-(tert-butylamino)-3,5-dimethylpyridine-4-carbonitrile (CID 138475559) is 2-(tert-butylamino)-3,5-dimethylpyridine-4-carbonitrile.
What is the SMILES notation for 2-(tert-butylamino)-3,5-dimethylpyridine-4-carbonitrile?
The canonical SMILES for 2-(tert-butylamino)-3,5-dimethylpyridine-4-carbonitrile is Cc1cnc(NC(C)(C)C)c(C)c1C#N.
What is the InChIKey of 2-(tert-butylamino)-3,5-dimethylpyridine-4-carbonitrile?
The InChIKey is GPLBPNJYYMYNMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3/c1-8-7-14-11(15-12(3,4)5)9(2)10(8)6-13/h7H,1-5H3,(H,14,15).
What are the key properties of 2-(tert-butylamino)-3,5-dimethylpyridine-4-carbonitrile?
2-(tert-butylamino)-3,5-dimethylpyridine-4-carbonitrile has a molecular weight of 203.29 g/mol, XLogP of 2.78, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-3,5-dimethylpyridine-4-carbonitrile is sourced from PubChem (CID 138475559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).