2-methyl-6-(pentylamino)pyridine-4-carbonitrile

C12H17N3 — CID 114765696

IUPAC2-methyl-6-(pentylamino)pyridine-4-carbonitrile
SMILESCCCCCNc1cc(C#N)cc(C)n1
InChIInChI=1S/C12H17N3/c1-3-4-5-6-14-12-8-11(9-13)7-10(2)15-12/h7-8H,3-6H2,1-2H3,(H,14,15)
InChIKeyAXXGWAAQRSQVCJ-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.86
Rot. Bonds5

About 2-methyl-6-(pentylamino)pyridine-4-carbonitrile

2-methyl-6-(pentylamino)pyridine-4-carbonitrile (PubChem CID 114765696) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is 2-methyl-6-(pentylamino)pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-methyl-6-(pentylamino)pyridine-4-carbonitrile
PubChem CID114765696
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name2-methyl-6-(pentylamino)pyridine-4-carbonitrile
SMILESCCCCCNc1cc(C#N)cc(C)n1
InChIInChI=1S/C12H17N3/c1-3-4-5-6-14-12-8-11(9-13)7-10(2)15-12/h7-8H,3-6H2,1-2H3,(H,14,15)
InChIKeyAXXGWAAQRSQVCJ-UHFFFAOYSA-N
XLogP2.86
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 ≤ 52.86
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

4-[(4-cyano-6-methyl-2-pyridinyl)amino]butanamide
CID 114765908
2-methyl-6-(3-pyrazol-1-ylpropylamino)pyridine-4-carbonitrile
CID 114766602
N-hexyl-4,6-dimethylpyridin-2-amine
CID 22105749
N-decyl-4,6-dimethylpyridin-2-amine
CID 151938350
2-(2,2-dimethylbutylamino)-6-methylpyridine-4-carbonitrile
CID 103461768
2-[(4-cyano-6-methyl-2-pyridinyl)amino]ethylurea
CID 114766555
3-[(4-cyano-6-methyl-2-pyridinyl)amino]propanamide
CID 114765879
4-N-dodecyl-6-methyl-2-N-octylpyrimidine-2,4-diamine
CID 5276785
3-[(4-cyano-6-methyl-2-pyridinyl)amino]-N-methylpropanamide
CID 114766134
methyl 3-[(4-cyano-6-methyl-2-pyridinyl)amino]propanoate
CID 114765934
4-N-decyl-6-methylpyrimidine-2,4-diamine
CID 80855252
2-N,6-dimethyl-4-N-pentylpyrimidine-2,4-diamine
CID 80786153

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(pentylamino)pyridine-4-carbonitrile?
The IUPAC name of 2-methyl-6-(pentylamino)pyridine-4-carbonitrile (CID 114765696) is 2-methyl-6-(pentylamino)pyridine-4-carbonitrile.
What is the SMILES notation for 2-methyl-6-(pentylamino)pyridine-4-carbonitrile?
The canonical SMILES for 2-methyl-6-(pentylamino)pyridine-4-carbonitrile is CCCCCNc1cc(C#N)cc(C)n1.
What is the InChIKey of 2-methyl-6-(pentylamino)pyridine-4-carbonitrile?
The InChIKey is AXXGWAAQRSQVCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3/c1-3-4-5-6-14-12-8-11(9-13)7-10(2)15-12/h7-8H,3-6H2,1-2H3,(H,14,15).
What are the key properties of 2-methyl-6-(pentylamino)pyridine-4-carbonitrile?
2-methyl-6-(pentylamino)pyridine-4-carbonitrile has a molecular weight of 203.29 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(pentylamino)pyridine-4-carbonitrile is sourced from PubChem (CID 114765696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).