6-[1-(4-methoxyphenyl)ethyl-methylamino]pyridine-2-carbonitrile

C16H17N3O — CID 133350822

IUPAC6-[1-(4-methoxyphenyl)ethyl-methylamino]pyridine-2-carbonitrile
SMILESCOc1ccc(C(C)N(C)c2cccc(C#N)n2)cc1
InChIInChI=1S/C16H17N3O/c1-12(13-7-9-15(20-3)10-8-13)19(2)16-6-4-5-14(11-17)18-16/h4-10,12H,1-3H3
InChIKeySEMJYEOLXFEWBO-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.16
Rot. Bonds4

About 6-[1-(4-methoxyphenyl)ethyl-methylamino]pyridine-2-carbonitrile

6-[1-(4-methoxyphenyl)ethyl-methylamino]pyridine-2-carbonitrile (PubChem CID 133350822) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 6-[1-(4-methoxyphenyl)ethyl-methylamino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[1-(4-methoxyphenyl)ethyl-methylamino]pyridine-2-carbonitrile
PubChem CID133350822
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name6-[1-(4-methoxyphenyl)ethyl-methylamino]pyridine-2-carbonitrile
SMILESCOc1ccc(C(C)N(C)c2cccc(C#N)n2)cc1
InChIInChI=1S/C16H17N3O/c1-12(13-7-9-15(20-3)10-8-13)19(2)16-6-4-5-14(11-17)18-16/h4-10,12H,1-3H3
InChIKeySEMJYEOLXFEWBO-UHFFFAOYSA-N
XLogP3.16
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-[1-hydroxypropan-2-yl(methyl)amino]pyridine-2-carbonitrile
CID 115868730
6-[amino(methyl)amino]pyridine-2-carbonitrile
CID 53404430
6-[(1-hydroxy-4-methylpentan-2-yl)-methylamino]pyridine-2-carbonitrile
CID 136532470
6-[ethyl(2-methylbutyl)amino]pyridine-2-carbonitrile
CID 79469803
2-[[(1S)-1-(4-methoxyphenyl)ethyl]-methylamino]pyridine-4-carboxamide
CID 97221238
6-[methyl(oxan-4-yl)amino]pyridine-2-carbonitrile
CID 64594895
1-(4-methoxyphenyl)-N-methyl-N-(trimethylsilylmethyl)ethanamine
CID 15113037
3-[1-(4-methoxyphenyl)ethyl]benzonitrile
CID 173090876
6-[3-aminopropyl(methyl)amino]pyridine-2-carbonitrile
CID 115319464
6-[1-cyclopropylethyl(2-methoxyethyl)amino]pyridine-2-carbonitrile
CID 64594719
4-[(6-cyano-2-pyridinyl)-methylamino]benzoic acid
CID 113442768
2-[(6-cyano-2-pyridinyl)-methylamino]acetic acid
CID 64587752

Frequently Asked Questions

What is the IUPAC name of 6-[1-(4-methoxyphenyl)ethyl-methylamino]pyridine-2-carbonitrile?
The IUPAC name of 6-[1-(4-methoxyphenyl)ethyl-methylamino]pyridine-2-carbonitrile (CID 133350822) is 6-[1-(4-methoxyphenyl)ethyl-methylamino]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[1-(4-methoxyphenyl)ethyl-methylamino]pyridine-2-carbonitrile?
The canonical SMILES for 6-[1-(4-methoxyphenyl)ethyl-methylamino]pyridine-2-carbonitrile is COc1ccc(C(C)N(C)c2cccc(C#N)n2)cc1.
What is the InChIKey of 6-[1-(4-methoxyphenyl)ethyl-methylamino]pyridine-2-carbonitrile?
The InChIKey is SEMJYEOLXFEWBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-12(13-7-9-15(20-3)10-8-13)19(2)16-6-4-5-14(11-17)18-16/h4-10,12H,1-3H3.
What are the key properties of 6-[1-(4-methoxyphenyl)ethyl-methylamino]pyridine-2-carbonitrile?
6-[1-(4-methoxyphenyl)ethyl-methylamino]pyridine-2-carbonitrile has a molecular weight of 267.33 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(4-methoxyphenyl)ethyl-methylamino]pyridine-2-carbonitrile is sourced from PubChem (CID 133350822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).