2-(4-methylpentylamino)pyridine-4-carbonitrile

C12H17N3 — CID 61039208

IUPAC2-(4-methylpentylamino)pyridine-4-carbonitrile
SMILESCC(C)CCCNc1cc(C#N)ccn1
InChIInChI=1S/C12H17N3/c1-10(2)4-3-6-14-12-8-11(9-13)5-7-15-12/h5,7-8,10H,3-4,6H2,1-2H3,(H,14,15)
InChIKeyOHSNUHNWAOBZET-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.80
Rot. Bonds5

About 2-(4-methylpentylamino)pyridine-4-carbonitrile

2-(4-methylpentylamino)pyridine-4-carbonitrile (PubChem CID 61039208) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is 2-(4-methylpentylamino)pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-(4-methylpentylamino)pyridine-4-carbonitrile
PubChem CID61039208
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name2-(4-methylpentylamino)pyridine-4-carbonitrile
SMILESCC(C)CCCNc1cc(C#N)ccn1
InChIInChI=1S/C12H17N3/c1-10(2)4-3-6-14-12-8-11(9-13)5-7-15-12/h5,7-8,10H,3-4,6H2,1-2H3,(H,14,15)
InChIKeyOHSNUHNWAOBZET-UHFFFAOYSA-N
XLogP2.80
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-methylpropylamino)pyridine-4-carbonitrile
CID 24707878
2-(5-methylhexan-2-ylamino)pyridine-4-carbonitrile
CID 63926299
2-[2-[methyl(propan-2-yl)amino]ethylamino]pyridine-4-carbonitrile
CID 62642744
2-[[2-methyl-3-(methylamino)propyl]amino]pyridine-4-carbonitrile
CID 115302962
2-(2-hydroxyethylamino)pyridine-4-carbonitrile
CID 22309035
4-cyano-N-(4-methylpentyl)pyridine-2-carboxamide
CID 115116900
2-[2-(dimethylamino)ethylamino]pyridine-4-carbonitrile
CID 24703925
2-(pent-3-ynylamino)pyridine-4-carbonitrile
CID 116644253
2-(2-methylsulfonylethylamino)pyridine-4-carbonitrile
CID 60917893
7-[(4-cyano-2-pyridinyl)amino]heptanoic acid
CID 24701051
4-(5-methylhexylamino)pyridine-2-carbonitrile
CID 115325582
2-(3-piperidin-4-yloxypropylamino)pyridine-4-carbonitrile
CID 63870014

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpentylamino)pyridine-4-carbonitrile?
The IUPAC name of 2-(4-methylpentylamino)pyridine-4-carbonitrile (CID 61039208) is 2-(4-methylpentylamino)pyridine-4-carbonitrile.
What is the SMILES notation for 2-(4-methylpentylamino)pyridine-4-carbonitrile?
The canonical SMILES for 2-(4-methylpentylamino)pyridine-4-carbonitrile is CC(C)CCCNc1cc(C#N)ccn1.
What is the InChIKey of 2-(4-methylpentylamino)pyridine-4-carbonitrile?
The InChIKey is OHSNUHNWAOBZET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3/c1-10(2)4-3-6-14-12-8-11(9-13)5-7-15-12/h5,7-8,10H,3-4,6H2,1-2H3,(H,14,15).
What are the key properties of 2-(4-methylpentylamino)pyridine-4-carbonitrile?
2-(4-methylpentylamino)pyridine-4-carbonitrile has a molecular weight of 203.29 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpentylamino)pyridine-4-carbonitrile is sourced from PubChem (CID 61039208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).