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

C11H15N3O2 — CID 114937375

IUPAC2-(3-hydroxypropylamino)-2-(6-methoxy-3-pyridinyl)acetonitrile
SMILESCOc1ccc(C(C#N)NCCCO)cn1
InChIInChI=1S/C11H15N3O2/c1-16-11-4-3-9(8-14-11)10(7-12)13-5-2-6-15/h3-4,8,10,13,15H,2,5-6H2,1H3
InChIKeyFFWZFRDQPPZCFP-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.63
Rot. Bonds6

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

2-(3-hydroxypropylamino)-2-(6-methoxy-3-pyridinyl)acetonitrile (PubChem CID 114937375) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-(3-hydroxypropylamino)-2-(6-methoxy-3-pyridinyl)acetonitrile.

Molecular Properties

Compound Name2-(3-hydroxypropylamino)-2-(6-methoxy-3-pyridinyl)acetonitrile
PubChem CID114937375
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name2-(3-hydroxypropylamino)-2-(6-methoxy-3-pyridinyl)acetonitrile
SMILESCOc1ccc(C(C#N)NCCCO)cn1
InChIInChI=1S/C11H15N3O2/c1-16-11-4-3-9(8-14-11)10(7-12)13-5-2-6-15/h3-4,8,10,13,15H,2,5-6H2,1H3
InChIKeyFFWZFRDQPPZCFP-UHFFFAOYSA-N
XLogP0.63
TPSA78.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(3-hydroxypropylamino)-2-(6-methyl-3-pyridinyl)acetonitrile
CID 104822479
2-[2-(diethylamino)ethylamino]-2-(6-methoxy-3-pyridinyl)acetonitrile
CID 114937329
2-(2-hydroxyethylamino)-2-(6-methyl-3-pyridinyl)acetonitrile
CID 104822478
2-(3-chloro-4-methoxyphenyl)-2-(3-hydroxypropylamino)acetonitrile
CID 65026803
2-(cyclopropylamino)-2-(6-methoxy-3-pyridinyl)acetonitrile
CID 114937308
(2R)-2-[3-[[(S)-cyano-(4-methoxyphenyl)methyl]amino]propylamino]-2-(4-methoxyphenyl)acetonitrile
CID 92533323
2-(6-methoxy-3-pyridinyl)-2-(propylamino)ethanol
CID 114938137
2-(3-hydroxypropylamino)-2-(2,4,6-trimethoxyphenyl)acetonitrile
CID 62586256
2-(2-hydroxyethylamino)-2-(4-propan-2-yloxyphenyl)acetonitrile
CID 62586059
2-(2-hydroxyethylamino)-2-(4-methoxy-3-methylphenyl)acetonitrile
CID 62587499
2-(2-ethoxyphenyl)-2-(3-hydroxypropylamino)acetonitrile
CID 62586976
ethyl 2-cyano-2-(6-methoxy-3-pyridinyl)acetate
CID 118104999

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxypropylamino)-2-(6-methoxy-3-pyridinyl)acetonitrile?
The IUPAC name of 2-(3-hydroxypropylamino)-2-(6-methoxy-3-pyridinyl)acetonitrile (CID 114937375) is 2-(3-hydroxypropylamino)-2-(6-methoxy-3-pyridinyl)acetonitrile.
What is the SMILES notation for 2-(3-hydroxypropylamino)-2-(6-methoxy-3-pyridinyl)acetonitrile?
The canonical SMILES for 2-(3-hydroxypropylamino)-2-(6-methoxy-3-pyridinyl)acetonitrile is COc1ccc(C(C#N)NCCCO)cn1.
What is the InChIKey of 2-(3-hydroxypropylamino)-2-(6-methoxy-3-pyridinyl)acetonitrile?
The InChIKey is FFWZFRDQPPZCFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-16-11-4-3-9(8-14-11)10(7-12)13-5-2-6-15/h3-4,8,10,13,15H,2,5-6H2,1H3.
What are the key properties of 2-(3-hydroxypropylamino)-2-(6-methoxy-3-pyridinyl)acetonitrile?
2-(3-hydroxypropylamino)-2-(6-methoxy-3-pyridinyl)acetonitrile has a molecular weight of 221.26 g/mol, XLogP of 0.63, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypropylamino)-2-(6-methoxy-3-pyridinyl)acetonitrile is sourced from PubChem (CID 114937375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).