5-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]pyridine-2-carbonitrile

C14H20N4O — CID 106621125

IUPAC5-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]pyridine-2-carbonitrile
SMILESCOCCN(CC1CCCN1)c1ccc(C#N)nc1
InChIInChI=1S/C14H20N4O/c1-19-8-7-18(11-13-3-2-6-16-13)14-5-4-12(9-15)17-10-14/h4-5,10,13,16H,2-3,6-8,11H2,1H3
InChIKeyPFQPXJBMPGUYLR-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.16
Rot. Bonds6

About 5-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]pyridine-2-carbonitrile

5-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]pyridine-2-carbonitrile (PubChem CID 106621125) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 5-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]pyridine-2-carbonitrile
PubChem CID106621125
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name5-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]pyridine-2-carbonitrile
SMILESCOCCN(CC1CCCN1)c1ccc(C#N)nc1
InChIInChI=1S/C14H20N4O/c1-19-8-7-18(11-13-3-2-6-16-13)14-5-4-12(9-15)17-10-14/h4-5,10,13,16H,2-3,6-8,11H2,1H3
InChIKeyPFQPXJBMPGUYLR-UHFFFAOYSA-N
XLogP1.16
TPSA61.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[ethyl(pyrrolidin-2-ylmethyl)amino]pyridine-2-carbonitrile
CID 106619532
5-[piperidin-2-ylmethyl(propyl)amino]pyridine-2-carbonitrile
CID 106642589
5-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]pyridine-2-carbonitrile
CID 106620212
3-bromo-5-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]benzonitrile
CID 106620864
5-[ethyl(2-methoxyethyl)amino]pyridine-2-carbonitrile
CID 79838651
3,5-dichloro-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
CID 106620995
N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)-1,2,4-thiadiazol-5-amine
CID 106621078
2-[propyl(pyrrolidin-2-ylmethyl)amino]pyrimidine-4-carbonitrile
CID 107552774
6-cyano-N-ethyl-N-(pyrrolidin-2-ylmethyl)pyridine-3-sulfonamide
CID 106608168
6-methoxy-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)pyrazin-2-amine
CID 106620842
2-bromo-4-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]benzamide
CID 107280969
1-N-(2-methoxyethyl)-4-nitro-1-N-(pyrrolidin-2-ylmethyl)benzene-1,3-diamine
CID 106750035

Frequently Asked Questions

What is the IUPAC name of 5-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]pyridine-2-carbonitrile?
The IUPAC name of 5-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]pyridine-2-carbonitrile (CID 106621125) is 5-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]pyridine-2-carbonitrile?
The canonical SMILES for 5-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]pyridine-2-carbonitrile is COCCN(CC1CCCN1)c1ccc(C#N)nc1.
What is the InChIKey of 5-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]pyridine-2-carbonitrile?
The InChIKey is PFQPXJBMPGUYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-19-8-7-18(11-13-3-2-6-16-13)14-5-4-12(9-15)17-10-14/h4-5,10,13,16H,2-3,6-8,11H2,1H3.
What are the key properties of 5-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]pyridine-2-carbonitrile?
5-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]pyridine-2-carbonitrile has a molecular weight of 260.34 g/mol, XLogP of 1.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]pyridine-2-carbonitrile is sourced from PubChem (CID 106621125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).