2-(4-hydroxybutan-2-ylamino)-6-methylpyridine-4-carbonitrile

C11H15N3O — CID 114766557

IUPAC2-(4-hydroxybutan-2-ylamino)-6-methylpyridine-4-carbonitrile
SMILESCc1cc(C#N)cc(NC(C)CCO)n1
InChIInChI=1S/C11H15N3O/c1-8(3-4-15)13-11-6-10(7-12)5-9(2)14-11/h5-6,8,15H,3-4H2,1-2H3,(H,13,14)
InChIKeyDQMQLHDZLKHBDA-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.44
Rot. Bonds4

About 2-(4-hydroxybutan-2-ylamino)-6-methylpyridine-4-carbonitrile

2-(4-hydroxybutan-2-ylamino)-6-methylpyridine-4-carbonitrile (PubChem CID 114766557) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-(4-hydroxybutan-2-ylamino)-6-methylpyridine-4-carbonitrile.

Molecular Properties

Compound Name2-(4-hydroxybutan-2-ylamino)-6-methylpyridine-4-carbonitrile
PubChem CID114766557
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name2-(4-hydroxybutan-2-ylamino)-6-methylpyridine-4-carbonitrile
SMILESCc1cc(C#N)cc(NC(C)CCO)n1
InChIInChI=1S/C11H15N3O/c1-8(3-4-15)13-11-6-10(7-12)5-9(2)14-11/h5-6,8,15H,3-4H2,1-2H3,(H,13,14)
InChIKeyDQMQLHDZLKHBDA-UHFFFAOYSA-N
XLogP1.44
TPSA68.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(but-3-yn-2-ylamino)-6-methylpyridine-4-carbonitrile
CID 114766702
2-methyl-6-(2-methylpentan-3-ylamino)pyridine-4-carbonitrile
CID 114765995
2-[(1-amino-3-methylbutan-2-yl)amino]-6-methylpyridine-4-carbonitrile
CID 114770092
methyl 2-[(4-cyano-6-methyl-2-pyridinyl)amino]-3-hydroxypropanoate
CID 114770412
4-[(4,6-dimethyl-2-pyridinyl)amino]pentan-1-ol
CID 115976030
2-[(4-cyano-6-methyl-2-pyridinyl)amino]-N-propan-2-ylpropanamide
CID 114766584
2-chloro-6-[(1-hydroxy-4-methylpentan-3-yl)amino]pyridine-4-carbonitrile
CID 106352536
3-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol
CID 83180781
2-[(4-cyano-6-methyl-2-pyridinyl)amino]-N-(2-methoxyethyl)propanamide
CID 114766588
2-(1-aminohexan-2-ylamino)-6-methylpyridine-4-carbonitrile
CID 114770189
2-[1-(2-aminophenyl)ethylamino]-6-methylpyridine-4-carbonitrile
CID 114770295
2-[1-(2-chlorophenyl)ethylamino]-6-methylpyridine-4-carbonitrile
CID 114766018

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxybutan-2-ylamino)-6-methylpyridine-4-carbonitrile?
The IUPAC name of 2-(4-hydroxybutan-2-ylamino)-6-methylpyridine-4-carbonitrile (CID 114766557) is 2-(4-hydroxybutan-2-ylamino)-6-methylpyridine-4-carbonitrile.
What is the SMILES notation for 2-(4-hydroxybutan-2-ylamino)-6-methylpyridine-4-carbonitrile?
The canonical SMILES for 2-(4-hydroxybutan-2-ylamino)-6-methylpyridine-4-carbonitrile is Cc1cc(C#N)cc(NC(C)CCO)n1.
What is the InChIKey of 2-(4-hydroxybutan-2-ylamino)-6-methylpyridine-4-carbonitrile?
The InChIKey is DQMQLHDZLKHBDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-8(3-4-15)13-11-6-10(7-12)5-9(2)14-11/h5-6,8,15H,3-4H2,1-2H3,(H,13,14).
What are the key properties of 2-(4-hydroxybutan-2-ylamino)-6-methylpyridine-4-carbonitrile?
2-(4-hydroxybutan-2-ylamino)-6-methylpyridine-4-carbonitrile has a molecular weight of 205.26 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxybutan-2-ylamino)-6-methylpyridine-4-carbonitrile is sourced from PubChem (CID 114766557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).