2-(4-hydroxypentylamino)-4-methylpyridine-3-carbonitrile

C12H17N3O — CID 107269156

IUPAC2-(4-hydroxypentylamino)-4-methylpyridine-3-carbonitrile
SMILESCc1ccnc(NCCCC(C)O)c1C#N
InChIInChI=1S/C12H17N3O/c1-9-5-7-15-12(11(9)8-13)14-6-3-4-10(2)16/h5,7,10,16H,3-4,6H2,1-2H3,(H,14,15)
InChIKeyLNBXZZXJCNNHLF-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.83
Rot. Bonds5

About 2-(4-hydroxypentylamino)-4-methylpyridine-3-carbonitrile

2-(4-hydroxypentylamino)-4-methylpyridine-3-carbonitrile (PubChem CID 107269156) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 2-(4-hydroxypentylamino)-4-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(4-hydroxypentylamino)-4-methylpyridine-3-carbonitrile
PubChem CID107269156
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name2-(4-hydroxypentylamino)-4-methylpyridine-3-carbonitrile
SMILESCc1ccnc(NCCCC(C)O)c1C#N
InChIInChI=1S/C12H17N3O/c1-9-5-7-15-12(11(9)8-13)14-6-3-4-10(2)16/h5,7,10,16H,3-4,6H2,1-2H3,(H,14,15)
InChIKeyLNBXZZXJCNNHLF-UHFFFAOYSA-N
XLogP1.83
TPSA68.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-hydroxypropylamino)-4-methylpyridine-3-carbonitrile
CID 77184145
2-[2-(2-hydroxypropylamino)ethylamino]-4-methylpyridine-3-carbonitrile
CID 104594443
4-methyl-2-(4,4,4-trifluorobutylamino)pyridine-3-carbonitrile
CID 113327555
5-[(3-bromo-4-methyl-2-pyridinyl)amino]pentan-2-ol
CID 106129032
4-methyl-2-(5-methylsulfanylpentylamino)pyridine-3-carbonitrile
CID 104925639
4-methyl-2-(3-propoxypropylamino)pyridine-3-carbonitrile
CID 82941151
2-(2-ethylsulfonylethylamino)-4-methylpyridine-3-carbonitrile
CID 113412232
2-[2-(cycloheptylamino)ethylamino]-4-methylpyridine-3-carbonitrile
CID 115306682
N-[2-[(3-cyano-4-methyl-2-pyridinyl)amino]ethyl]cyclopropanecarboxamide
CID 113412171
2-[2-[2-(dimethylamino)ethoxy]ethylamino]-4-methylpyridine-3-carbonitrile
CID 104705443
(2S)-2-[(3-cyano-4-methyl-2-pyridinyl)amino]propanoic acid
CID 122049397
2-[[1-(hydroxymethyl)cyclopropyl]methylamino]-4-methylpyridine-3-carbonitrile
CID 115455046

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxypentylamino)-4-methylpyridine-3-carbonitrile?
The IUPAC name of 2-(4-hydroxypentylamino)-4-methylpyridine-3-carbonitrile (CID 107269156) is 2-(4-hydroxypentylamino)-4-methylpyridine-3-carbonitrile.
What is the SMILES notation for 2-(4-hydroxypentylamino)-4-methylpyridine-3-carbonitrile?
The canonical SMILES for 2-(4-hydroxypentylamino)-4-methylpyridine-3-carbonitrile is Cc1ccnc(NCCCC(C)O)c1C#N.
What is the InChIKey of 2-(4-hydroxypentylamino)-4-methylpyridine-3-carbonitrile?
The InChIKey is LNBXZZXJCNNHLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-9-5-7-15-12(11(9)8-13)14-6-3-4-10(2)16/h5,7,10,16H,3-4,6H2,1-2H3,(H,14,15).
What are the key properties of 2-(4-hydroxypentylamino)-4-methylpyridine-3-carbonitrile?
2-(4-hydroxypentylamino)-4-methylpyridine-3-carbonitrile has a molecular weight of 219.29 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxypentylamino)-4-methylpyridine-3-carbonitrile is sourced from PubChem (CID 107269156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).