3-amino-2-(3-phenylpropoxy)pyridine-4-carbonitrile

C15H15N3O — CID 82812776

IUPAC3-amino-2-(3-phenylpropoxy)pyridine-4-carbonitrile
SMILESN#Cc1ccnc(OCCCc2ccccc2)c1N
InChIInChI=1S/C15H15N3O/c16-11-13-8-9-18-15(14(13)17)19-10-4-7-12-5-2-1-3-6-12/h1-3,5-6,8-9H,4,7,10,17H2
InChIKeyLPCDYTNJBMHXPH-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.55
Rot. Bonds5

About 3-amino-2-(3-phenylpropoxy)pyridine-4-carbonitrile

3-amino-2-(3-phenylpropoxy)pyridine-4-carbonitrile (PubChem CID 82812776) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is 3-amino-2-(3-phenylpropoxy)pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-amino-2-(3-phenylpropoxy)pyridine-4-carbonitrile
PubChem CID82812776
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name3-amino-2-(3-phenylpropoxy)pyridine-4-carbonitrile
SMILESN#Cc1ccnc(OCCCc2ccccc2)c1N
InChIInChI=1S/C15H15N3O/c16-11-13-8-9-18-15(14(13)17)19-10-4-7-12-5-2-1-3-6-12/h1-3,5-6,8-9H,4,7,10,17H2
InChIKeyLPCDYTNJBMHXPH-UHFFFAOYSA-N
XLogP2.55
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-2-(4-butylphenoxy)pyridine-4-carbonitrile
CID 82813718
[3-(3-phenylpropoxy)pyrazin-2-yl]methanamine
CID 62684504
3-amino-2-(2,2,2-trifluoroethoxy)pyridine-4-carbonitrile
CID 82812758
3-amino-2-[(4-chlorophenyl)methoxy]pyridine-4-carbonitrile
CID 82813622
3-amino-2-[(4-bromophenyl)methoxy]pyridine-4-carbonitrile
CID 82828614
2-(3-aminopropoxy)-3-chloropyridine-4-carbonitrile
CID 107061653
5-(3-phenylpropoxy)pyridine-2-carbonitrile
CID 113320705
4-bromo-2-(3-phenylpropoxy)benzonitrile
CID 114902467
2-phenylmethoxypyridine-3-carbonitrile
CID 12604511
3-amino-2-(2-methylpentoxy)pyridine-4-carbonitrile
CID 103282880
3,5-dichloro-6-(3-phenylpropoxy)pyridin-2-amine
CID 102760880
2-amino-3-[methyl(3-phenylpropyl)amino]benzonitrile
CID 104716362

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(3-phenylpropoxy)pyridine-4-carbonitrile?
The IUPAC name of 3-amino-2-(3-phenylpropoxy)pyridine-4-carbonitrile (CID 82812776) is 3-amino-2-(3-phenylpropoxy)pyridine-4-carbonitrile.
What is the SMILES notation for 3-amino-2-(3-phenylpropoxy)pyridine-4-carbonitrile?
The canonical SMILES for 3-amino-2-(3-phenylpropoxy)pyridine-4-carbonitrile is N#Cc1ccnc(OCCCc2ccccc2)c1N.
What is the InChIKey of 3-amino-2-(3-phenylpropoxy)pyridine-4-carbonitrile?
The InChIKey is LPCDYTNJBMHXPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c16-11-13-8-9-18-15(14(13)17)19-10-4-7-12-5-2-1-3-6-12/h1-3,5-6,8-9H,4,7,10,17H2.
What are the key properties of 3-amino-2-(3-phenylpropoxy)pyridine-4-carbonitrile?
3-amino-2-(3-phenylpropoxy)pyridine-4-carbonitrile has a molecular weight of 253.31 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(3-phenylpropoxy)pyridine-4-carbonitrile is sourced from PubChem (CID 82812776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).