5-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]pyridine-2-carbonitrile

C16H16FN3O — CID 176963272

IUPAC5-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]pyridine-2-carbonitrile
SMILESCCN(Cc1ccc(OC)c(F)c1)c1ccc(C#N)nc1
InChIInChI=1S/C16H16FN3O/c1-3-20(14-6-5-13(9-18)19-10-14)11-12-4-7-16(21-2)15(17)8-12/h4-8,10H,3,11H2,1-2H3
InChIKeyNSPIKZUMOOHYHW-UHFFFAOYSA-N
MW285.32 g/mol
LogP3.13
Rot. Bonds5

About 5-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]pyridine-2-carbonitrile

5-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]pyridine-2-carbonitrile (PubChem CID 176963272) has the molecular formula C16H16FN3O and a molecular weight of 285.32 g/mol. Its IUPAC name is 5-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]pyridine-2-carbonitrile
PubChem CID176963272
Molecular FormulaC16H16FN3O
Molecular Weight285.32 g/mol
Exact Mass285.13
IUPAC Name5-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]pyridine-2-carbonitrile
SMILESCCN(Cc1ccc(OC)c(F)c1)c1ccc(C#N)nc1
InChIInChI=1S/C16H16FN3O/c1-3-20(14-6-5-13(9-18)19-10-14)11-12-4-7-16(21-2)15(17)8-12/h4-8,10H,3,11H2,1-2H3
InChIKeyNSPIKZUMOOHYHW-UHFFFAOYSA-N
XLogP3.13
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[ethyl-[(3-fluorophenyl)methyl]amino]pyridine-2-carbonitrile
CID 133370048
5-[(4-aminophenyl)methyl-ethylamino]pyridine-2-carbonitrile
CID 115490478
2-[(3,4-dimethoxyphenyl)methyl-ethylamino]-6-fluorobenzonitrile
CID 133383913
tert-butyl formate;5-[(3-fluoro-4-methoxyphenyl)methyl-[2-[5-(hydroxymethyl)-1,3-dioxan-2-yl]ethyl]amino]pyridine-2-carbonitrile;methanamine
CID 176963537
5-[(N-ethyl-3-methylanilino)methyl]-2-methoxybenzonitrile
CID 65344258
4-N-[(3-fluoro-4-methoxyphenyl)methyl]-4-N-propylbenzene-1,4-diamine
CID 63234119
methyl 2-[(6-cyano-3-pyridinyl)-ethylamino]acetate
CID 115487597
4-(aminomethyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylaniline
CID 43275566
5-(4-ethyl-N-methylanilino)pyridine-2-carbonitrile
CID 115487644
5-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyridine-2-carbonitrile
CID 115487766
4-[(N-ethyl-3,4-dimethoxyanilino)methyl]phenol
CID 175433154
7-fluoro-6-methoxyquinoline-2-carbonitrile
CID 102941351

Frequently Asked Questions

What is the IUPAC name of 5-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]pyridine-2-carbonitrile?
The IUPAC name of 5-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]pyridine-2-carbonitrile (CID 176963272) is 5-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]pyridine-2-carbonitrile?
The canonical SMILES for 5-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]pyridine-2-carbonitrile is CCN(Cc1ccc(OC)c(F)c1)c1ccc(C#N)nc1.
What is the InChIKey of 5-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]pyridine-2-carbonitrile?
The InChIKey is NSPIKZUMOOHYHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O/c1-3-20(14-6-5-13(9-18)19-10-14)11-12-4-7-16(21-2)15(17)8-12/h4-8,10H,3,11H2,1-2H3.
What are the key properties of 5-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]pyridine-2-carbonitrile?
5-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]pyridine-2-carbonitrile has a molecular weight of 285.32 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]pyridine-2-carbonitrile is sourced from PubChem (CID 176963272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).