3-chloro-2-[2-methoxyethyl(2-methylpropyl)amino]pyridine-4-carbonitrile

C13H18ClN3O — CID 107057272

IUPAC3-chloro-2-[2-methoxyethyl(2-methylpropyl)amino]pyridine-4-carbonitrile
SMILESCOCCN(CC(C)C)c1nccc(C#N)c1Cl
InChIInChI=1S/C13H18ClN3O/c1-10(2)9-17(6-7-18-3)13-12(14)11(8-15)4-5-16-13/h4-5,10H,6-7,9H2,1-3H3
InChIKeyFUCMSJSIECLATB-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.72
Rot. Bonds6

About 3-chloro-2-[2-methoxyethyl(2-methylpropyl)amino]pyridine-4-carbonitrile

3-chloro-2-[2-methoxyethyl(2-methylpropyl)amino]pyridine-4-carbonitrile (PubChem CID 107057272) has the molecular formula C13H18ClN3O and a molecular weight of 267.76 g/mol. Its IUPAC name is 3-chloro-2-[2-methoxyethyl(2-methylpropyl)amino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-chloro-2-[2-methoxyethyl(2-methylpropyl)amino]pyridine-4-carbonitrile
PubChem CID107057272
Molecular FormulaC13H18ClN3O
Molecular Weight267.76 g/mol
Exact Mass267.11
IUPAC Name3-chloro-2-[2-methoxyethyl(2-methylpropyl)amino]pyridine-4-carbonitrile
SMILESCOCCN(CC(C)C)c1nccc(C#N)c1Cl
InChIInChI=1S/C13H18ClN3O/c1-10(2)9-17(6-7-18-3)13-12(14)11(8-15)4-5-16-13/h4-5,10H,6-7,9H2,1-3H3
InChIKeyFUCMSJSIECLATB-UHFFFAOYSA-N
XLogP2.72
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]pyridine-4-carbonitrile
CID 107479563
3-chloro-2-[2-hydroxypropyl(methyl)amino]pyridine-4-carbonitrile
CID 107057550
3-chloro-2-[pentyl(propan-2-yl)amino]pyridine-4-carbonitrile
CID 107057326
3-chloro-2-[2,2-difluoroethyl(methyl)amino]pyridine-4-carbonitrile
CID 107058480
N-(2-methoxyethyl)-3-(methylaminomethyl)-N-(2-methylpropyl)pyridin-2-amine
CID 62282007
3-chloro-2-[cyclopentyl(3-methylbutyl)amino]pyridine-4-carbonitrile
CID 107058051
3-chloro-2-(2-methoxyethoxy)pyridine-4-carbonitrile
CID 107058776
2,3-difluoro-4-[2-methoxyethyl(2-methylpropyl)amino]benzonitrile
CID 107933567
3-amino-2-[2-methoxyethyl(methyl)amino]pyridine-4-carbonitrile
CID 82817144
3-chloro-2-[1-cyanopropan-2-yl(methyl)amino]pyridine-4-carbonitrile
CID 107056611
3-chloro-2-[ethyl(methyl)amino]pyridine-4-carbonitrile
CID 107056896
3-chloro-2-[2-[di(propan-2-yl)amino]ethoxy]pyridine-4-carbonitrile
CID 107059128

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[2-methoxyethyl(2-methylpropyl)amino]pyridine-4-carbonitrile?
The IUPAC name of 3-chloro-2-[2-methoxyethyl(2-methylpropyl)amino]pyridine-4-carbonitrile (CID 107057272) is 3-chloro-2-[2-methoxyethyl(2-methylpropyl)amino]pyridine-4-carbonitrile.
What is the SMILES notation for 3-chloro-2-[2-methoxyethyl(2-methylpropyl)amino]pyridine-4-carbonitrile?
The canonical SMILES for 3-chloro-2-[2-methoxyethyl(2-methylpropyl)amino]pyridine-4-carbonitrile is COCCN(CC(C)C)c1nccc(C#N)c1Cl.
What is the InChIKey of 3-chloro-2-[2-methoxyethyl(2-methylpropyl)amino]pyridine-4-carbonitrile?
The InChIKey is FUCMSJSIECLATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O/c1-10(2)9-17(6-7-18-3)13-12(14)11(8-15)4-5-16-13/h4-5,10H,6-7,9H2,1-3H3.
What are the key properties of 3-chloro-2-[2-methoxyethyl(2-methylpropyl)amino]pyridine-4-carbonitrile?
3-chloro-2-[2-methoxyethyl(2-methylpropyl)amino]pyridine-4-carbonitrile has a molecular weight of 267.76 g/mol, XLogP of 2.72, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[2-methoxyethyl(2-methylpropyl)amino]pyridine-4-carbonitrile is sourced from PubChem (CID 107057272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).