2-[cyclobutyl(2-hydroxyethyl)amino]-6-methylpyridine-3-carbonitrile

C13H17N3O — CID 102862392

IUPAC2-[cyclobutyl(2-hydroxyethyl)amino]-6-methylpyridine-3-carbonitrile
SMILESCc1ccc(C#N)c(N(CCO)C2CCC2)n1
InChIInChI=1S/C13H17N3O/c1-10-5-6-11(9-14)13(15-10)16(7-8-17)12-3-2-4-12/h5-6,12,17H,2-4,7-8H2,1H3
InChIKeySRSWXKONYOUESK-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.61
Rot. Bonds4

About 2-[cyclobutyl(2-hydroxyethyl)amino]-6-methylpyridine-3-carbonitrile

2-[cyclobutyl(2-hydroxyethyl)amino]-6-methylpyridine-3-carbonitrile (PubChem CID 102862392) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-[cyclobutyl(2-hydroxyethyl)amino]-6-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[cyclobutyl(2-hydroxyethyl)amino]-6-methylpyridine-3-carbonitrile
PubChem CID102862392
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name2-[cyclobutyl(2-hydroxyethyl)amino]-6-methylpyridine-3-carbonitrile
SMILESCc1ccc(C#N)c(N(CCO)C2CCC2)n1
InChIInChI=1S/C13H17N3O/c1-10-5-6-11(9-14)13(15-10)16(7-8-17)12-3-2-4-12/h5-6,12,17H,2-4,7-8H2,1H3
InChIKeySRSWXKONYOUESK-UHFFFAOYSA-N
XLogP1.61
TPSA60.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclopentyl(2-hydroxyethyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 79875315
3-[(3-amino-6-methyl-2-pyridinyl)-cyclobutylamino]propan-1-ol
CID 102859402
5-amino-2-[cyclopentyl(2-hydroxyethyl)amino]pyridine-3-carbonitrile
CID 54993728
3-[cyclobutyl(3-hydroxypropyl)amino]pyridazine-4-carbonitrile
CID 102862313
2-[cyclobutyl(3-hydroxypropyl)amino]quinoline-3-carbonitrile
CID 102862336
2-[cyclopropyl-(3,6-dimethylpyrazin-2-yl)amino]ethanol
CID 65418206
2-bromo-4-[cyclobutyl(2-hydroxyethyl)amino]-3-fluorobenzonitrile
CID 107534120
2-[cyclobutyl(3-hydroxypropyl)amino]-4-methylbenzonitrile
CID 102862350
2-[cyclopentyl(2-hydroxyethyl)amino]quinoline-4-carbonitrile
CID 63884675
2-bromo-4-[cyclopentyl(2-hydroxyethyl)amino]-3-fluorobenzonitrile
CID 107533458
6-methyl-2-[methyl-(4-oxocyclohexyl)amino]pyridine-3-carbonitrile
CID 79120279
2-[cyclobutyl(3-hydroxypropyl)amino]-6-methylpyridine-3-carboximidamide
CID 102862991

Frequently Asked Questions

What is the IUPAC name of 2-[cyclobutyl(2-hydroxyethyl)amino]-6-methylpyridine-3-carbonitrile?
The IUPAC name of 2-[cyclobutyl(2-hydroxyethyl)amino]-6-methylpyridine-3-carbonitrile (CID 102862392) is 2-[cyclobutyl(2-hydroxyethyl)amino]-6-methylpyridine-3-carbonitrile.
What is the SMILES notation for 2-[cyclobutyl(2-hydroxyethyl)amino]-6-methylpyridine-3-carbonitrile?
The canonical SMILES for 2-[cyclobutyl(2-hydroxyethyl)amino]-6-methylpyridine-3-carbonitrile is Cc1ccc(C#N)c(N(CCO)C2CCC2)n1.
What is the InChIKey of 2-[cyclobutyl(2-hydroxyethyl)amino]-6-methylpyridine-3-carbonitrile?
The InChIKey is SRSWXKONYOUESK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-10-5-6-11(9-14)13(15-10)16(7-8-17)12-3-2-4-12/h5-6,12,17H,2-4,7-8H2,1H3.
What are the key properties of 2-[cyclobutyl(2-hydroxyethyl)amino]-6-methylpyridine-3-carbonitrile?
2-[cyclobutyl(2-hydroxyethyl)amino]-6-methylpyridine-3-carbonitrile has a molecular weight of 231.30 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclobutyl(2-hydroxyethyl)amino]-6-methylpyridine-3-carbonitrile is sourced from PubChem (CID 102862392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).