4-[[4-(ethylaminomethyl)phenoxy]methyl]pyridine-2-carbonitrile

C16H17N3O — CID 63889419

IUPAC4-[[4-(ethylaminomethyl)phenoxy]methyl]pyridine-2-carbonitrile
SMILESCCNCc1ccc(OCc2ccnc(C#N)c2)cc1
InChIInChI=1S/C16H17N3O/c1-2-18-11-13-3-5-16(6-4-13)20-12-14-7-8-19-15(9-14)10-17/h3-9,18H,2,11-12H2,1H3
InChIKeyUYCMTYIPMBRVDH-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.64
Rot. Bonds6

About 4-[[4-(ethylaminomethyl)phenoxy]methyl]pyridine-2-carbonitrile

4-[[4-(ethylaminomethyl)phenoxy]methyl]pyridine-2-carbonitrile (PubChem CID 63889419) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 4-[[4-(ethylaminomethyl)phenoxy]methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[[4-(ethylaminomethyl)phenoxy]methyl]pyridine-2-carbonitrile
PubChem CID63889419
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name4-[[4-(ethylaminomethyl)phenoxy]methyl]pyridine-2-carbonitrile
SMILESCCNCc1ccc(OCc2ccnc(C#N)c2)cc1
InChIInChI=1S/C16H17N3O/c1-2-18-11-13-3-5-16(6-4-13)20-12-14-7-8-19-15(9-14)10-17/h3-9,18H,2,11-12H2,1H3
InChIKeyUYCMTYIPMBRVDH-UHFFFAOYSA-N
XLogP2.64
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-hydroxyphenoxy)methyl]pyridine-2-carbonitrile
CID 63882551
4-[(4-bromophenoxy)methyl]pyridine-2-carbonitrile
CID 63880574
4-[[4-[2-(methylamino)propyl]phenoxy]methyl]pyridine-2-carbonitrile
CID 115494851
4-[[4-[(1S)-1-aminoethyl]phenoxy]methyl]pyridine-2-carbonitrile
CID 63888851
1-[[4-[(2-cyano-4-pyridinyl)methoxy]phenyl]methyl]-N-methylazetidine-3-carboxamide
CID 176930777
4-[[(4-propan-2-ylphenyl)methylamino]methyl]pyridine-2-carbonitrile
CID 63882717
4-[[(3-ethoxyphenyl)methylamino]methyl]pyridine-2-carbonitrile
CID 63881515
4-[[4-(ethylaminomethyl)phenoxy]methyl]-3-methylbenzonitrile
CID 114479463
4-[(4-chloro-3-methylphenoxy)methyl]pyridine-2-carbonitrile
CID 63884435
4-[[2-(ethylamino)-4-pyridinyl]methoxy]benzonitrile
CID 62465648
2-[[4-(ethylaminomethyl)phenoxy]methyl]-4-fluorobenzonitrile
CID 107902677
4-(propoxymethyl)pyridine-2-carbonitrile
CID 63884045

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(ethylaminomethyl)phenoxy]methyl]pyridine-2-carbonitrile?
The IUPAC name of 4-[[4-(ethylaminomethyl)phenoxy]methyl]pyridine-2-carbonitrile (CID 63889419) is 4-[[4-(ethylaminomethyl)phenoxy]methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[[4-(ethylaminomethyl)phenoxy]methyl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[[4-(ethylaminomethyl)phenoxy]methyl]pyridine-2-carbonitrile is CCNCc1ccc(OCc2ccnc(C#N)c2)cc1.
What is the InChIKey of 4-[[4-(ethylaminomethyl)phenoxy]methyl]pyridine-2-carbonitrile?
The InChIKey is UYCMTYIPMBRVDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-2-18-11-13-3-5-16(6-4-13)20-12-14-7-8-19-15(9-14)10-17/h3-9,18H,2,11-12H2,1H3.
What are the key properties of 4-[[4-(ethylaminomethyl)phenoxy]methyl]pyridine-2-carbonitrile?
4-[[4-(ethylaminomethyl)phenoxy]methyl]pyridine-2-carbonitrile has a molecular weight of 267.33 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(ethylaminomethyl)phenoxy]methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 63889419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).