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

C12H17N3 — CID 43372296

IUPAC2-(4-methylpentan-2-ylamino)pyridine-3-carbonitrile
SMILESCC(C)CC(C)Nc1ncccc1C#N
InChIInChI=1S/C12H17N3/c1-9(2)7-10(3)15-12-11(8-13)5-4-6-14-12/h4-6,9-10H,7H2,1-3H3,(H,14,15)
InChIKeyVRQLDKOPNPCILH-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.80
Rot. Bonds4

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

2-(4-methylpentan-2-ylamino)pyridine-3-carbonitrile (PubChem CID 43372296) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is 2-(4-methylpentan-2-ylamino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(4-methylpentan-2-ylamino)pyridine-3-carbonitrile
PubChem CID43372296
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name2-(4-methylpentan-2-ylamino)pyridine-3-carbonitrile
SMILESCC(C)CC(C)Nc1ncccc1C#N
InChIInChI=1S/C12H17N3/c1-9(2)7-10(3)15-12-11(8-13)5-4-6-14-12/h4-6,9-10H,7H2,1-3H3,(H,14,15)
InChIKeyVRQLDKOPNPCILH-UHFFFAOYSA-N
XLogP2.80
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 ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-phenoxypropan-2-ylamino)pyridine-3-carbonitrile
CID 47394904
2-(4-methylsulfonylbutan-2-ylamino)pyridine-3-carbonitrile
CID 133386763
2-[2-(methylamino)propylamino]pyridine-3-carbonitrile
CID 126976361
2-[[(2R)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]pyridine-3-carbonitrile
CID 95292896
2-(1-methylsulfanylbutan-2-ylamino)pyridine-3-carbonitrile
CID 115899405
2-[1-(2-bromophenyl)ethylamino]pyridine-3-carbonitrile
CID 42927800
2-[[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]amino]pyridine-3-carbonitrile
CID 94006979
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]pyridine-3-carbonitrile
CID 31585319
2-[[(2S,3S)-3-pyrazol-1-ylbutan-2-yl]amino]pyridine-3-carbonitrile
CID 95759520
2-[[1-(4-chlorophenyl)-1-methoxypropan-2-yl]amino]pyridine-3-carbonitrile
CID 133311512
2-[1-[4-(trifluoromethyl)phenyl]ethylamino]pyridine-3-carbonitrile
CID 42893054
2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]pyridine-3-carbonitrile
CID 93417245

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpentan-2-ylamino)pyridine-3-carbonitrile?
The IUPAC name of 2-(4-methylpentan-2-ylamino)pyridine-3-carbonitrile (CID 43372296) is 2-(4-methylpentan-2-ylamino)pyridine-3-carbonitrile.
What is the SMILES notation for 2-(4-methylpentan-2-ylamino)pyridine-3-carbonitrile?
The canonical SMILES for 2-(4-methylpentan-2-ylamino)pyridine-3-carbonitrile is CC(C)CC(C)Nc1ncccc1C#N.
What is the InChIKey of 2-(4-methylpentan-2-ylamino)pyridine-3-carbonitrile?
The InChIKey is VRQLDKOPNPCILH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3/c1-9(2)7-10(3)15-12-11(8-13)5-4-6-14-12/h4-6,9-10H,7H2,1-3H3,(H,14,15).
What are the key properties of 2-(4-methylpentan-2-ylamino)pyridine-3-carbonitrile?
2-(4-methylpentan-2-ylamino)pyridine-3-carbonitrile has a molecular weight of 203.29 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpentan-2-ylamino)pyridine-3-carbonitrile is sourced from PubChem (CID 43372296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).