2-(2-phenylmethoxyethylamino)pyridine-3-carbonitrile

C15H15N3O — CID 154733870

IUPAC2-(2-phenylmethoxyethylamino)pyridine-3-carbonitrile
SMILESN#Cc1cccnc1NCCOCc1ccccc1
InChIInChI=1S/C15H15N3O/c16-11-14-7-4-8-17-15(14)18-9-10-19-12-13-5-2-1-3-6-13/h1-8H,9-10,12H2,(H,17,18)
InChIKeyPSVSUHOSYAANGU-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.58
Rot. Bonds6

About 2-(2-phenylmethoxyethylamino)pyridine-3-carbonitrile

2-(2-phenylmethoxyethylamino)pyridine-3-carbonitrile (PubChem CID 154733870) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is 2-(2-phenylmethoxyethylamino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(2-phenylmethoxyethylamino)pyridine-3-carbonitrile
PubChem CID154733870
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name2-(2-phenylmethoxyethylamino)pyridine-3-carbonitrile
SMILESN#Cc1cccnc1NCCOCc1ccccc1
InChIInChI=1S/C15H15N3O/c16-11-14-7-4-8-17-15(14)18-9-10-19-12-13-5-2-1-3-6-13/h1-8H,9-10,12H2,(H,17,18)
InChIKeyPSVSUHOSYAANGU-UHFFFAOYSA-N
XLogP2.58
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.58
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

2-(2-butoxyethylamino)pyridine-3-carbonitrile
CID 61175093
2-(3-methoxypropylamino)pyridine-3-carbonitrile
CID 17221189
2-(3-propoxypropylamino)pyridine-3-carbonitrile
CID 82941891
2-(2-pyridin-3-ylethylamino)pyridine-3-carbonitrile
CID 60725697
N-benzyl-3-[(3-cyano-2-pyridinyl)amino]propanamide
CID 133279511
2-phenylmethoxypyridine-3-carbonitrile
CID 12604511
2-[2-(3-chlorophenyl)ethylamino]pyridine-3-carbonitrile
CID 39743124
methyl 3-[(3-cyano-2-pyridinyl)amino]propanoate
CID 55028439
2-(3-methylsulfanylpropylamino)pyridine-3-carbonitrile
CID 63965471
2-[2-(quinazolin-4-ylamino)ethylamino]pyridine-3-carbonitrile
CID 53498953
3-[2-[(4-methoxyphenyl)methoxy]ethylamino]pyrazine-2-carbonitrile
CID 133444700
N-(2-phenylmethoxyethyl)pyridin-4-amine
CID 131164924

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylmethoxyethylamino)pyridine-3-carbonitrile?
The IUPAC name of 2-(2-phenylmethoxyethylamino)pyridine-3-carbonitrile (CID 154733870) is 2-(2-phenylmethoxyethylamino)pyridine-3-carbonitrile.
What is the SMILES notation for 2-(2-phenylmethoxyethylamino)pyridine-3-carbonitrile?
The canonical SMILES for 2-(2-phenylmethoxyethylamino)pyridine-3-carbonitrile is N#Cc1cccnc1NCCOCc1ccccc1.
What is the InChIKey of 2-(2-phenylmethoxyethylamino)pyridine-3-carbonitrile?
The InChIKey is PSVSUHOSYAANGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c16-11-14-7-4-8-17-15(14)18-9-10-19-12-13-5-2-1-3-6-13/h1-8H,9-10,12H2,(H,17,18).
What are the key properties of 2-(2-phenylmethoxyethylamino)pyridine-3-carbonitrile?
2-(2-phenylmethoxyethylamino)pyridine-3-carbonitrile has a molecular weight of 253.31 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylmethoxyethylamino)pyridine-3-carbonitrile is sourced from PubChem (CID 154733870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).