2-(3-hydroxypropylamino)-2-(6-methyl-3-pyridinyl)acetonitrile

C11H15N3O — CID 104822479

IUPAC2-(3-hydroxypropylamino)-2-(6-methyl-3-pyridinyl)acetonitrile
SMILESCc1ccc(C(C#N)NCCCO)cn1
InChIInChI=1S/C11H15N3O/c1-9-3-4-10(8-14-9)11(7-12)13-5-2-6-15/h3-4,8,11,13,15H,2,5-6H2,1H3
InChIKeyANXNLQKQIBFLIQ-UHFFFAOYSA-N
MW205.26 g/mol
LogP0.93
Rot. Bonds5

About 2-(3-hydroxypropylamino)-2-(6-methyl-3-pyridinyl)acetonitrile

2-(3-hydroxypropylamino)-2-(6-methyl-3-pyridinyl)acetonitrile (PubChem CID 104822479) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-(3-hydroxypropylamino)-2-(6-methyl-3-pyridinyl)acetonitrile.

Molecular Properties

Compound Name2-(3-hydroxypropylamino)-2-(6-methyl-3-pyridinyl)acetonitrile
PubChem CID104822479
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name2-(3-hydroxypropylamino)-2-(6-methyl-3-pyridinyl)acetonitrile
SMILESCc1ccc(C(C#N)NCCCO)cn1
InChIInChI=1S/C11H15N3O/c1-9-3-4-10(8-14-9)11(7-12)13-5-2-6-15/h3-4,8,11,13,15H,2,5-6H2,1H3
InChIKeyANXNLQKQIBFLIQ-UHFFFAOYSA-N
XLogP0.93
TPSA68.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-hydroxyethylamino)-2-(6-methyl-3-pyridinyl)acetonitrile
CID 104822478
2-(3-hydroxypropylamino)-2-(6-methoxy-3-pyridinyl)acetonitrile
CID 114937375
2-(6-methyl-3-pyridinyl)-2-(thiophen-2-ylmethylamino)acetonitrile
CID 104822436
2-(3-hydroxypropylamino)-2-(4-methyl-1,3-thiazol-2-yl)acetonitrile
CID 104770292
2-(3-chloro-4-methoxyphenyl)-2-(3-hydroxypropylamino)acetonitrile
CID 65026803
5-[cyano-(3-hydroxypropylamino)methyl]-2-fluorobenzonitrile
CID 114018008
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-hydroxypropylamino)acetonitrile
CID 62586070
2-[3-(dimethylamino)propylamino]-2-(4-methylphenyl)acetonitrile
CID 112500742
2-(2-ethoxyphenyl)-2-(3-hydroxypropylamino)acetonitrile
CID 62586976
2-(2-bromoanilino)-2-(6-methyl-3-pyridinyl)acetonitrile
CID 113457122
2-(4-fluoro-3-methylphenyl)-2-(2-hydroxyethylamino)acetonitrile
CID 62587497
2-(2-hydroxyethylamino)-2-(4-propan-2-yloxyphenyl)acetonitrile
CID 62586059

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxypropylamino)-2-(6-methyl-3-pyridinyl)acetonitrile?
The IUPAC name of 2-(3-hydroxypropylamino)-2-(6-methyl-3-pyridinyl)acetonitrile (CID 104822479) is 2-(3-hydroxypropylamino)-2-(6-methyl-3-pyridinyl)acetonitrile.
What is the SMILES notation for 2-(3-hydroxypropylamino)-2-(6-methyl-3-pyridinyl)acetonitrile?
The canonical SMILES for 2-(3-hydroxypropylamino)-2-(6-methyl-3-pyridinyl)acetonitrile is Cc1ccc(C(C#N)NCCCO)cn1.
What is the InChIKey of 2-(3-hydroxypropylamino)-2-(6-methyl-3-pyridinyl)acetonitrile?
The InChIKey is ANXNLQKQIBFLIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-9-3-4-10(8-14-9)11(7-12)13-5-2-6-15/h3-4,8,11,13,15H,2,5-6H2,1H3.
What are the key properties of 2-(3-hydroxypropylamino)-2-(6-methyl-3-pyridinyl)acetonitrile?
2-(3-hydroxypropylamino)-2-(6-methyl-3-pyridinyl)acetonitrile has a molecular weight of 205.26 g/mol, XLogP of 0.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypropylamino)-2-(6-methyl-3-pyridinyl)acetonitrile is sourced from PubChem (CID 104822479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).