2-(3-methylpentan-3-ylamino)pyridine-4-carbonitrile

C12H17N3 — CID 106328947

IUPAC2-(3-methylpentan-3-ylamino)pyridine-4-carbonitrile
SMILESCCC(C)(CC)Nc1cc(C#N)ccn1
InChIInChI=1S/C12H17N3/c1-4-12(3,5-2)15-11-8-10(9-13)6-7-14-11/h6-8H,4-5H2,1-3H3,(H,14,15)
InChIKeyPZVGPOQSYYXXFU-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.94
Rot. Bonds4

About 2-(3-methylpentan-3-ylamino)pyridine-4-carbonitrile

2-(3-methylpentan-3-ylamino)pyridine-4-carbonitrile (PubChem CID 106328947) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is 2-(3-methylpentan-3-ylamino)pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-(3-methylpentan-3-ylamino)pyridine-4-carbonitrile
PubChem CID106328947
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name2-(3-methylpentan-3-ylamino)pyridine-4-carbonitrile
SMILESCCC(C)(CC)Nc1cc(C#N)ccn1
InChIInChI=1S/C12H17N3/c1-4-12(3,5-2)15-11-8-10(9-13)6-7-14-11/h6-8H,4-5H2,1-3H3,(H,14,15)
InChIKeyPZVGPOQSYYXXFU-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-(2-methylbutan-2-ylamino)pyridine-4-carbonitrile
CID 24702082
2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]pyridine-4-carbonitrile
CID 107865845
2-[(2-amino-2-methylpropyl)amino]pyridine-4-carbonitrile
CID 115303626
2-(2-methylpropylamino)pyridine-4-carbonitrile
CID 24707878
N-(3-methylpentan-3-yl)pyridin-2-amine
CID 106329310
2-(3-methylbutan-2-ylamino)pyridine-4-carbonitrile
CID 43131440
2-(2-hydroxyethylamino)pyridine-4-carbonitrile
CID 22309035
2-[2-(dimethylamino)ethylamino]pyridine-4-carbonitrile
CID 24703925
4-methyl-2-(3-methylpentan-3-ylamino)pyridine-3-carbonitrile
CID 106328949
2-(pent-3-ynylamino)pyridine-4-carbonitrile
CID 116644253
2-(2-methylsulfonylethylamino)pyridine-4-carbonitrile
CID 60917893
2-[[2-methyl-3-(methylamino)propyl]amino]pyridine-4-carbonitrile
CID 115302962

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylpentan-3-ylamino)pyridine-4-carbonitrile?
The IUPAC name of 2-(3-methylpentan-3-ylamino)pyridine-4-carbonitrile (CID 106328947) is 2-(3-methylpentan-3-ylamino)pyridine-4-carbonitrile.
What is the SMILES notation for 2-(3-methylpentan-3-ylamino)pyridine-4-carbonitrile?
The canonical SMILES for 2-(3-methylpentan-3-ylamino)pyridine-4-carbonitrile is CCC(C)(CC)Nc1cc(C#N)ccn1.
What is the InChIKey of 2-(3-methylpentan-3-ylamino)pyridine-4-carbonitrile?
The InChIKey is PZVGPOQSYYXXFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3/c1-4-12(3,5-2)15-11-8-10(9-13)6-7-14-11/h6-8H,4-5H2,1-3H3,(H,14,15).
What are the key properties of 2-(3-methylpentan-3-ylamino)pyridine-4-carbonitrile?
2-(3-methylpentan-3-ylamino)pyridine-4-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-4-carbonitrile is sourced from PubChem (CID 106328947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).