6-[(4-hydroxy-3-methylbutan-2-yl)amino]pyridine-3-carbonitrile

C11H15N3O — CID 115643963

IUPAC6-[(4-hydroxy-3-methylbutan-2-yl)amino]pyridine-3-carbonitrile
SMILESCC(CO)C(C)Nc1ccc(C#N)cn1
InChIInChI=1S/C11H15N3O/c1-8(7-15)9(2)14-11-4-3-10(5-12)6-13-11/h3-4,6,8-9,15H,7H2,1-2H3,(H,13,14)
InChIKeyHBAHHQGRCJTIJG-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.38
Rot. Bonds4

About 6-[(4-hydroxy-3-methylbutan-2-yl)amino]pyridine-3-carbonitrile

6-[(4-hydroxy-3-methylbutan-2-yl)amino]pyridine-3-carbonitrile (PubChem CID 115643963) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 6-[(4-hydroxy-3-methylbutan-2-yl)amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[(4-hydroxy-3-methylbutan-2-yl)amino]pyridine-3-carbonitrile
PubChem CID115643963
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name6-[(4-hydroxy-3-methylbutan-2-yl)amino]pyridine-3-carbonitrile
SMILESCC(CO)C(C)Nc1ccc(C#N)cn1
InChIInChI=1S/C11H15N3O/c1-8(7-15)9(2)14-11-4-3-10(5-12)6-13-11/h3-4,6,8-9,15H,7H2,1-2H3,(H,13,14)
InChIKeyHBAHHQGRCJTIJG-UHFFFAOYSA-N
XLogP1.38
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 ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[[(2S)-1-hydroxybutan-2-yl]amino]pyridine-3-carbonitrile
CID 51681205
6-(4-methylpentan-2-ylamino)pyridine-3-carbonitrile
CID 43372308
6-[[1-(4-bromophenyl)-1-hydroxypropan-2-yl]amino]pyridine-3-carbonitrile
CID 51099692
6-[[(1S)-1-(4-cyanophenyl)ethyl]amino]pyridine-3-carbonitrile
CID 93318179
2-[(5-cyano-2-pyridinyl)amino]propanamide
CID 43402789
ethyl 3-[(5-cyano-2-pyridinyl)amino]butanoate
CID 133363432
(2S)-2-[(5-cyano-2-pyridinyl)amino]-3-methylbutanamide
CID 97236005
6-(1-ethylsulfanylpropan-2-ylamino)pyridine-3-carbonitrile
CID 115659032
6-(hexan-3-ylamino)pyridine-3-carbonitrile
CID 62046801
3,5-difluoro-4-[(4-hydroxy-3-methylbutan-2-yl)amino]benzonitrile
CID 113240534
N-(5-cyano-2-pyridinyl)-4-methylpentanamide
CID 55209976
benzyl 3-[(5-cyano-2-pyridinyl)amino]butanoate
CID 133413172

Frequently Asked Questions

What is the IUPAC name of 6-[(4-hydroxy-3-methylbutan-2-yl)amino]pyridine-3-carbonitrile?
The IUPAC name of 6-[(4-hydroxy-3-methylbutan-2-yl)amino]pyridine-3-carbonitrile (CID 115643963) is 6-[(4-hydroxy-3-methylbutan-2-yl)amino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[(4-hydroxy-3-methylbutan-2-yl)amino]pyridine-3-carbonitrile?
The canonical SMILES for 6-[(4-hydroxy-3-methylbutan-2-yl)amino]pyridine-3-carbonitrile is CC(CO)C(C)Nc1ccc(C#N)cn1.
What is the InChIKey of 6-[(4-hydroxy-3-methylbutan-2-yl)amino]pyridine-3-carbonitrile?
The InChIKey is HBAHHQGRCJTIJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-8(7-15)9(2)14-11-4-3-10(5-12)6-13-11/h3-4,6,8-9,15H,7H2,1-2H3,(H,13,14).
What are the key properties of 6-[(4-hydroxy-3-methylbutan-2-yl)amino]pyridine-3-carbonitrile?
6-[(4-hydroxy-3-methylbutan-2-yl)amino]pyridine-3-carbonitrile has a molecular weight of 205.26 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-hydroxy-3-methylbutan-2-yl)amino]pyridine-3-carbonitrile is sourced from PubChem (CID 115643963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).