4-[2-(3-methylphenoxy)ethylamino]pyridine-2-carbonitrile

C15H15N3O — CID 62492330

IUPAC4-[2-(3-methylphenoxy)ethylamino]pyridine-2-carbonitrile
SMILESCc1cccc(OCCNc2ccnc(C#N)c2)c1
InChIInChI=1S/C15H15N3O/c1-12-3-2-4-15(9-12)19-8-7-18-13-5-6-17-14(10-13)11-16/h2-6,9-10H,7-8H2,1H3,(H,17,18)
InChIKeyQHBWNQKDPPRPIA-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.75
Rot. Bonds5

About 4-[2-(3-methylphenoxy)ethylamino]pyridine-2-carbonitrile

4-[2-(3-methylphenoxy)ethylamino]pyridine-2-carbonitrile (PubChem CID 62492330) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is 4-[2-(3-methylphenoxy)ethylamino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[2-(3-methylphenoxy)ethylamino]pyridine-2-carbonitrile
PubChem CID62492330
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name4-[2-(3-methylphenoxy)ethylamino]pyridine-2-carbonitrile
SMILESCc1cccc(OCCNc2ccnc(C#N)c2)c1
InChIInChI=1S/C15H15N3O/c1-12-3-2-4-15(9-12)19-8-7-18-13-5-6-17-14(10-13)11-16/h2-6,9-10H,7-8H2,1H3,(H,17,18)
InChIKeyQHBWNQKDPPRPIA-UHFFFAOYSA-N
XLogP2.75
TPSA57.94 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 ≤ 52.75
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

4-(2-methoxyethylamino)pyridine-2-carbonitrile
CID 62924815
N-[2-(3-methylphenoxy)ethyl]aniline
CID 54796212
3-chloro-2-[2-(3-methylphenoxy)ethylamino]pyridine-4-carbonitrile
CID 107057390
2-methyl-4-N-[2-(3-methylphenoxy)ethyl]benzene-1,4-diamine
CID 55012527
N-[2-(3-methylphenoxy)ethyl]-3-propan-2-yloxyaniline
CID 54802915
2-N-methyl-6-N-[2-(3-methylphenoxy)ethyl]pyridine-2,6-diamine
CID 80815231
5-fluoro-N-[2-(3-methylphenoxy)ethyl]pyrimidin-2-amine
CID 113286019
3-butoxy-N-[2-(3,5-dimethylphenoxy)ethyl]aniline
CID 54800670
N-[2-(4-bromo-3-methylphenoxy)ethyl]-3-methylaniline
CID 83140916
4-[3-(3-methylphenoxy)propoxy]benzonitrile
CID 43213922
3-[2-(3-methylphenoxy)ethylamino]benzoic acid
CID 82096040
4-amino-3-[2-(3-methylphenoxy)ethylamino]benzonitrile
CID 104711772

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-methylphenoxy)ethylamino]pyridine-2-carbonitrile?
The IUPAC name of 4-[2-(3-methylphenoxy)ethylamino]pyridine-2-carbonitrile (CID 62492330) is 4-[2-(3-methylphenoxy)ethylamino]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[2-(3-methylphenoxy)ethylamino]pyridine-2-carbonitrile?
The canonical SMILES for 4-[2-(3-methylphenoxy)ethylamino]pyridine-2-carbonitrile is Cc1cccc(OCCNc2ccnc(C#N)c2)c1.
What is the InChIKey of 4-[2-(3-methylphenoxy)ethylamino]pyridine-2-carbonitrile?
The InChIKey is QHBWNQKDPPRPIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-12-3-2-4-15(9-12)19-8-7-18-13-5-6-17-14(10-13)11-16/h2-6,9-10H,7-8H2,1H3,(H,17,18).
What are the key properties of 4-[2-(3-methylphenoxy)ethylamino]pyridine-2-carbonitrile?
4-[2-(3-methylphenoxy)ethylamino]pyridine-2-carbonitrile has a molecular weight of 253.31 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-methylphenoxy)ethylamino]pyridine-2-carbonitrile is sourced from PubChem (CID 62492330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).