6-(4-methylpentan-2-ylamino)pyridine-3-carbonitrile

C12H17N3 — CID 43372308

IUPAC6-(4-methylpentan-2-ylamino)pyridine-3-carbonitrile
SMILESCC(C)CC(C)Nc1ccc(C#N)cn1
InChIInChI=1S/C12H17N3/c1-9(2)6-10(3)15-12-5-4-11(7-13)8-14-12/h4-5,8-10H,6H2,1-3H3,(H,14,15)
InChIKeyJQEGNHQWORNPFG-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.80
Rot. Bonds4

About 6-(4-methylpentan-2-ylamino)pyridine-3-carbonitrile

6-(4-methylpentan-2-ylamino)pyridine-3-carbonitrile (PubChem CID 43372308) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is 6-(4-methylpentan-2-ylamino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(4-methylpentan-2-ylamino)pyridine-3-carbonitrile
PubChem CID43372308
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name6-(4-methylpentan-2-ylamino)pyridine-3-carbonitrile
SMILESCC(C)CC(C)Nc1ccc(C#N)cn1
InChIInChI=1S/C12H17N3/c1-9(2)6-10(3)15-12-5-4-11(7-13)8-14-12/h4-5,8-10H,6H2,1-3H3,(H,14,15)
InChIKeyJQEGNHQWORNPFG-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

6-(1-ethylsulfanylpropan-2-ylamino)pyridine-3-carbonitrile
CID 115659032
6-(1-thiophen-3-ylpropan-2-ylamino)pyridine-3-carbonitrile
CID 47357833
6-[[(1S)-1-(4-cyanophenyl)ethyl]amino]pyridine-3-carbonitrile
CID 93318179
6-[(4-hydroxy-3-methylbutan-2-yl)amino]pyridine-3-carbonitrile
CID 115643963
ethyl 3-[(5-cyano-2-pyridinyl)amino]butanoate
CID 133363432
6-[5-(diethylamino)pentan-2-ylamino]pyridine-3-carbonitrile
CID 24692421
2-[(5-cyano-2-pyridinyl)amino]propanamide
CID 43402789
6-[[(2S)-1-hydroxybutan-2-yl]amino]pyridine-3-carbonitrile
CID 51681205
6-(hexan-3-ylamino)pyridine-3-carbonitrile
CID 62046801
N-(5-cyano-2-pyridinyl)-4-methylpentanamide
CID 55209976
benzyl 3-[(5-cyano-2-pyridinyl)amino]butanoate
CID 133413172
(2S)-2-[(5-cyano-2-pyridinyl)amino]-3-methylbutanamide
CID 97236005

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylpentan-2-ylamino)pyridine-3-carbonitrile?
The IUPAC name of 6-(4-methylpentan-2-ylamino)pyridine-3-carbonitrile (CID 43372308) is 6-(4-methylpentan-2-ylamino)pyridine-3-carbonitrile.
What is the SMILES notation for 6-(4-methylpentan-2-ylamino)pyridine-3-carbonitrile?
The canonical SMILES for 6-(4-methylpentan-2-ylamino)pyridine-3-carbonitrile is CC(C)CC(C)Nc1ccc(C#N)cn1.
What is the InChIKey of 6-(4-methylpentan-2-ylamino)pyridine-3-carbonitrile?
The InChIKey is JQEGNHQWORNPFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3/c1-9(2)6-10(3)15-12-5-4-11(7-13)8-14-12/h4-5,8-10H,6H2,1-3H3,(H,14,15).
What are the key properties of 6-(4-methylpentan-2-ylamino)pyridine-3-carbonitrile?
6-(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 6-(4-methylpentan-2-ylamino)pyridine-3-carbonitrile is sourced from PubChem (CID 43372308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).