3-(4-propan-2-yloxybutylamino)pyridine-4-carbonitrile

C13H19N3O — CID 113381771

IUPAC3-(4-propan-2-yloxybutylamino)pyridine-4-carbonitrile
SMILESCC(C)OCCCCNc1cnccc1C#N
InChIInChI=1S/C13H19N3O/c1-11(2)17-8-4-3-6-16-13-10-15-7-5-12(13)9-14/h5,7,10-11,16H,3-4,6,8H2,1-2H3
InChIKeyNKLALKWOOLLJKZ-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.57
Rot. Bonds7

About 3-(4-propan-2-yloxybutylamino)pyridine-4-carbonitrile

3-(4-propan-2-yloxybutylamino)pyridine-4-carbonitrile (PubChem CID 113381771) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 3-(4-propan-2-yloxybutylamino)pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-(4-propan-2-yloxybutylamino)pyridine-4-carbonitrile
PubChem CID113381771
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name3-(4-propan-2-yloxybutylamino)pyridine-4-carbonitrile
SMILESCC(C)OCCCCNc1cnccc1C#N
InChIInChI=1S/C13H19N3O/c1-11(2)17-8-4-3-6-16-13-10-15-7-5-12(13)9-14/h5,7,10-11,16H,3-4,6,8H2,1-2H3
InChIKeyNKLALKWOOLLJKZ-UHFFFAOYSA-N
XLogP2.57
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(3-propoxypropylamino)pyridine-4-carbonitrile
CID 82942075
3-[3-(2-methoxyethoxy)propylamino]pyridine-4-carbonitrile
CID 113337626
3-(4-propan-2-yloxybutylamino)pyridine-4-carboxylic acid
CID 114136276
3-[2-(2-methoxyethylamino)ethylamino]pyridine-4-carbonitrile
CID 83030587
3-[2-(2-methylprop-2-enoxy)ethylamino]pyridine-4-carbonitrile
CID 115883851
3-(2-cyclopropylpropylamino)pyridine-4-carbonitrile
CID 115883746
3-[2-(cyclopropylmethoxy)ethylamino]pyridine-4-carbonitrile
CID 103888654
3-methyl-N-(2-propan-2-yloxyethyl)pyridin-4-amine
CID 104762427
4-propan-2-yloxy-N-(pyrazin-2-ylmethyl)butan-1-amine
CID 106007760
3-[(2-bromo-4,5-dimethoxyphenyl)methylamino]pyridine-4-carbonitrile
CID 84593512
2-[(4-cyano-3-pyridinyl)amino]ethylurea
CID 83092415
3-[(2-ethoxy-2-methylpropyl)amino]pyridine-4-carbonitrile
CID 114942452

Frequently Asked Questions

What is the IUPAC name of 3-(4-propan-2-yloxybutylamino)pyridine-4-carbonitrile?
The IUPAC name of 3-(4-propan-2-yloxybutylamino)pyridine-4-carbonitrile (CID 113381771) is 3-(4-propan-2-yloxybutylamino)pyridine-4-carbonitrile.
What is the SMILES notation for 3-(4-propan-2-yloxybutylamino)pyridine-4-carbonitrile?
The canonical SMILES for 3-(4-propan-2-yloxybutylamino)pyridine-4-carbonitrile is CC(C)OCCCCNc1cnccc1C#N.
What is the InChIKey of 3-(4-propan-2-yloxybutylamino)pyridine-4-carbonitrile?
The InChIKey is NKLALKWOOLLJKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-11(2)17-8-4-3-6-16-13-10-15-7-5-12(13)9-14/h5,7,10-11,16H,3-4,6,8H2,1-2H3.
What are the key properties of 3-(4-propan-2-yloxybutylamino)pyridine-4-carbonitrile?
3-(4-propan-2-yloxybutylamino)pyridine-4-carbonitrile has a molecular weight of 233.31 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-propan-2-yloxybutylamino)pyridine-4-carbonitrile is sourced from PubChem (CID 113381771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).