2-(3-methylpentan-3-ylamino)pyridine-3-carbonitrile

C12H17N3 — CID 106328911

IUPAC2-(3-methylpentan-3-ylamino)pyridine-3-carbonitrile
SMILESCCC(C)(CC)Nc1ncccc1C#N
InChIInChI=1S/C12H17N3/c1-4-12(3,5-2)15-11-10(9-13)7-6-8-14-11/h6-8H,4-5H2,1-3H3,(H,14,15)
InChIKeySSQSNYZWTGNROZ-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.94
Rot. Bonds4

About 2-(3-methylpentan-3-ylamino)pyridine-3-carbonitrile

2-(3-methylpentan-3-ylamino)pyridine-3-carbonitrile (PubChem CID 106328911) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is 2-(3-methylpentan-3-ylamino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(3-methylpentan-3-ylamino)pyridine-3-carbonitrile
PubChem CID106328911
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name2-(3-methylpentan-3-ylamino)pyridine-3-carbonitrile
SMILESCCC(C)(CC)Nc1ncccc1C#N
InChIInChI=1S/C12H17N3/c1-4-12(3,5-2)15-11-10(9-13)7-6-8-14-11/h6-8H,4-5H2,1-3H3,(H,14,15)
InChIKeySSQSNYZWTGNROZ-UHFFFAOYSA-N
XLogP2.94
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(hydroxymethyl)pentan-3-ylamino]pyridine-3-carbonitrile
CID 62519572
2-[(3-cyano-2-pyridinyl)amino]-2-methylbutanoic acid
CID 79792497
2-[(2-amino-2-methylpropyl)amino]pyridine-3-carbonitrile
CID 78954580
2-(2,2,2-trifluoroethylamino)pyridine-3-carbonitrile
CID 24690844
4-methyl-2-(3-methylpentan-3-ylamino)pyridine-3-carbonitrile
CID 106328949
2-[(3-cyano-2-pyridinyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 79798363
2-(2-methylprop-2-enylamino)pyridine-3-carbonitrile
CID 114617287
2-[(2-methyl-2-methylsulfonylpropyl)amino]pyridine-3-carbonitrile
CID 79563043
2-[(2-hydroxy-4,4-dimethylpentyl)amino]pyridine-3-carbonitrile
CID 103674836
2-[2-(methylamino)propylamino]pyridine-3-carbonitrile
CID 126976361
2-(2-butoxyethylamino)pyridine-3-carbonitrile
CID 61175093
2-(3-propoxypropylamino)pyridine-3-carbonitrile
CID 82941891

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylpentan-3-ylamino)pyridine-3-carbonitrile?
The IUPAC name of 2-(3-methylpentan-3-ylamino)pyridine-3-carbonitrile (CID 106328911) is 2-(3-methylpentan-3-ylamino)pyridine-3-carbonitrile.
What is the SMILES notation for 2-(3-methylpentan-3-ylamino)pyridine-3-carbonitrile?
The canonical SMILES for 2-(3-methylpentan-3-ylamino)pyridine-3-carbonitrile is CCC(C)(CC)Nc1ncccc1C#N.
What is the InChIKey of 2-(3-methylpentan-3-ylamino)pyridine-3-carbonitrile?
The InChIKey is SSQSNYZWTGNROZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3/c1-4-12(3,5-2)15-11-10(9-13)7-6-8-14-11/h6-8H,4-5H2,1-3H3,(H,14,15).
What are the key properties of 2-(3-methylpentan-3-ylamino)pyridine-3-carbonitrile?
2-(3-methylpentan-3-ylamino)pyridine-3-carbonitrile has a molecular weight of 203.29 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylpentan-3-ylamino)pyridine-3-carbonitrile is sourced from PubChem (CID 106328911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).