6-[methyl(4-methylpentan-2-yl)amino]pyridine-3-carbonitrile

C13H19N3 — CID 55028427

IUPAC6-[methyl(4-methylpentan-2-yl)amino]pyridine-3-carbonitrile
SMILESCC(C)CC(C)N(C)c1ccc(C#N)cn1
InChIInChI=1S/C13H19N3/c1-10(2)7-11(3)16(4)13-6-5-12(8-14)9-15-13/h5-6,9-11H,7H2,1-4H3
InChIKeyKYVLTVAXHDFJBN-UHFFFAOYSA-N
MW217.32 g/mol
LogP2.82
Rot. Bonds4

About 6-[methyl(4-methylpentan-2-yl)amino]pyridine-3-carbonitrile

6-[methyl(4-methylpentan-2-yl)amino]pyridine-3-carbonitrile (PubChem CID 55028427) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is 6-[methyl(4-methylpentan-2-yl)amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[methyl(4-methylpentan-2-yl)amino]pyridine-3-carbonitrile
PubChem CID55028427
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name6-[methyl(4-methylpentan-2-yl)amino]pyridine-3-carbonitrile
SMILESCC(C)CC(C)N(C)c1ccc(C#N)cn1
InChIInChI=1S/C13H19N3/c1-10(2)7-11(3)16(4)13-6-5-12(8-14)9-15-13/h5-6,9-11H,7H2,1-4H3
InChIKeyKYVLTVAXHDFJBN-UHFFFAOYSA-N
XLogP2.82
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-6-[methyl(4-methylpentan-2-yl)amino]pyridine-2-carbonitrile
CID 103468015
N-(5-cyano-2-pyridinyl)-2-ethyl-N-methylbutanamide
CID 115268044
6-[cyclobutyl(methyl)amino]pyridine-3-carbonitrile
CID 115650122
2-[(5-cyano-2-pyridinyl)-(2-methylpropyl)amino]acetic acid
CID 63064843
3-[(5-cyano-2-pyridinyl)-propan-2-ylamino]propanoic acid
CID 54925557
6-(4-methylpentan-2-ylamino)pyridine-3-carbonitrile
CID 43372308
6-[dimethylsulfamoyl(methyl)amino]pyridine-3-carbonitrile
CID 115268088
5-(chloromethyl)-N-methyl-N-(4-methylpentan-2-yl)pyrazin-2-amine
CID 107373417
6-[(4,4-difluorocyclohexyl)-methylamino]pyridine-3-carbonitrile
CID 170765180
6-[methyl(3,3,3-trifluoropropyl)amino]pyridine-3-carbonitrile
CID 61397772
6-[benzyl(methyl)amino]pyridine-3-carbonitrile
CID 24690148
6-[piperidin-4-ylmethyl(propan-2-yl)amino]pyridine-3-carbonitrile
CID 79719998

Frequently Asked Questions

What is the IUPAC name of 6-[methyl(4-methylpentan-2-yl)amino]pyridine-3-carbonitrile?
The IUPAC name of 6-[methyl(4-methylpentan-2-yl)amino]pyridine-3-carbonitrile (CID 55028427) is 6-[methyl(4-methylpentan-2-yl)amino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[methyl(4-methylpentan-2-yl)amino]pyridine-3-carbonitrile?
The canonical SMILES for 6-[methyl(4-methylpentan-2-yl)amino]pyridine-3-carbonitrile is CC(C)CC(C)N(C)c1ccc(C#N)cn1.
What is the InChIKey of 6-[methyl(4-methylpentan-2-yl)amino]pyridine-3-carbonitrile?
The InChIKey is KYVLTVAXHDFJBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-10(2)7-11(3)16(4)13-6-5-12(8-14)9-15-13/h5-6,9-11H,7H2,1-4H3.
What are the key properties of 6-[methyl(4-methylpentan-2-yl)amino]pyridine-3-carbonitrile?
6-[methyl(4-methylpentan-2-yl)amino]pyridine-3-carbonitrile has a molecular weight of 217.32 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[methyl(4-methylpentan-2-yl)amino]pyridine-3-carbonitrile is sourced from PubChem (CID 55028427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).