3-(3-hydroxybutan-2-ylamino)pyridine-4-carbonitrile

C10H13N3O — CID 130963996

IUPAC3-(3-hydroxybutan-2-ylamino)pyridine-4-carbonitrile
SMILESCC(O)C(C)Nc1cnccc1C#N
InChIInChI=1S/C10H13N3O/c1-7(8(2)14)13-10-6-12-4-3-9(10)5-11/h3-4,6-8,13-14H,1-2H3
InChIKeyDMVCQPMIICEGER-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.13
Rot. Bonds3

About 3-(3-hydroxybutan-2-ylamino)pyridine-4-carbonitrile

3-(3-hydroxybutan-2-ylamino)pyridine-4-carbonitrile (PubChem CID 130963996) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 3-(3-hydroxybutan-2-ylamino)pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-(3-hydroxybutan-2-ylamino)pyridine-4-carbonitrile
PubChem CID130963996
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name3-(3-hydroxybutan-2-ylamino)pyridine-4-carbonitrile
SMILESCC(O)C(C)Nc1cnccc1C#N
InChIInChI=1S/C10H13N3O/c1-7(8(2)14)13-10-6-12-4-3-9(10)5-11/h3-4,6-8,13-14H,1-2H3
InChIKeyDMVCQPMIICEGER-UHFFFAOYSA-N
XLogP1.13
TPSA68.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-methylhexan-2-ylamino)pyridine-4-carbonitrile
CID 114287606
3-(2-cyclopropylpropylamino)pyridine-4-carbonitrile
CID 115883746
3-(2-hydroxypentylamino)pyridine-4-carbonitrile
CID 115883782
3-[(3-chloro-4-pyridinyl)amino]butan-2-ol
CID 126992331
3-(2-pyrrolidin-1-ylpropylamino)pyridine-4-carbonitrile
CID 114287768
3-[(3-hydroxy-2,2-dimethylpropyl)amino]pyridine-4-carbonitrile
CID 115360433
3-(4-propan-2-yloxybutylamino)pyridine-4-carbonitrile
CID 113381771
3-[[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]amino]pyridine-4-carbonitrile
CID 136534742
3-bromo-4-(3-hydroxybutan-2-ylamino)benzonitrile
CID 107789465
3-propan-2-yloxypyridine-4-carbonitrile
CID 91623739
3-[(4-methylcycloheptyl)amino]pyridine-4-carbonitrile
CID 102809585
4-(1-methoxypropan-2-ylamino)pyridine-3-carbonitrile
CID 130810747

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxybutan-2-ylamino)pyridine-4-carbonitrile?
The IUPAC name of 3-(3-hydroxybutan-2-ylamino)pyridine-4-carbonitrile (CID 130963996) is 3-(3-hydroxybutan-2-ylamino)pyridine-4-carbonitrile.
What is the SMILES notation for 3-(3-hydroxybutan-2-ylamino)pyridine-4-carbonitrile?
The canonical SMILES for 3-(3-hydroxybutan-2-ylamino)pyridine-4-carbonitrile is CC(O)C(C)Nc1cnccc1C#N.
What is the InChIKey of 3-(3-hydroxybutan-2-ylamino)pyridine-4-carbonitrile?
The InChIKey is DMVCQPMIICEGER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-7(8(2)14)13-10-6-12-4-3-9(10)5-11/h3-4,6-8,13-14H,1-2H3.
What are the key properties of 3-(3-hydroxybutan-2-ylamino)pyridine-4-carbonitrile?
3-(3-hydroxybutan-2-ylamino)pyridine-4-carbonitrile has a molecular weight of 191.23 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxybutan-2-ylamino)pyridine-4-carbonitrile is sourced from PubChem (CID 130963996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).