2-[2-hydroxyethyl(methyl)amino]-4-methyl-6-pyrrolidin-1-ylpyridine-3-carbonitrile

C14H20N4O — CID 53368505

IUPAC2-[2-hydroxyethyl(methyl)amino]-4-methyl-6-pyrrolidin-1-ylpyridine-3-carbonitrile
SMILESCc1cc(N2CCCC2)nc(N(C)CCO)c1C#N
InChIInChI=1S/C14H20N4O/c1-11-9-13(18-5-3-4-6-18)16-14(12(11)10-15)17(2)7-8-19/h9,19H,3-8H2,1-2H3
InChIKeyJXZHHZSTXMWAJX-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.29
Rot. Bonds4

About 2-[2-hydroxyethyl(methyl)amino]-4-methyl-6-pyrrolidin-1-ylpyridine-3-carbonitrile

2-[2-hydroxyethyl(methyl)amino]-4-methyl-6-pyrrolidin-1-ylpyridine-3-carbonitrile (PubChem CID 53368505) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-[2-hydroxyethyl(methyl)amino]-4-methyl-6-pyrrolidin-1-ylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[2-hydroxyethyl(methyl)amino]-4-methyl-6-pyrrolidin-1-ylpyridine-3-carbonitrile
PubChem CID53368505
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name2-[2-hydroxyethyl(methyl)amino]-4-methyl-6-pyrrolidin-1-ylpyridine-3-carbonitrile
SMILESCc1cc(N2CCCC2)nc(N(C)CCO)c1C#N
InChIInChI=1S/C14H20N4O/c1-11-9-13(18-5-3-4-6-18)16-14(12(11)10-15)17(2)7-8-19/h9,19H,3-8H2,1-2H3
InChIKeyJXZHHZSTXMWAJX-UHFFFAOYSA-N
XLogP1.29
TPSA63.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Khk-IN-2
CID 129900198
6-[(3~{R},4~{S})-3,4-bis(oxidanyl)pyrrolidin-1-yl]-2-[(2~{S},3~{R})-2-methyl-3-oxidanyl-azetidin-1-yl]-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 154585749
4,6-Dimethyl-2-(morpholin-4-yl)pyridine-3-carbonitrile
CID 698057
6-[(3~{S},4~{R})-3,4-bis(oxidanyl)pyrrolidin-1-yl]-2-[(3~{S})-3-methyl-3-oxidanyl-pyrrolidin-1-yl]-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 154585747
4,6-Dimethyl-2-(pyrrolidin-1-yl)nicotinonitrile
CID 892982
2-Amino-4-(cyanomethyl)-6-[2-hydroxyethyl(methyl)amino]pyridine-3,5-dicarbonitrile
CID 4408902
4-Methyl-2,6-dimorpholin-4-ylpyridine-3-carbonitrile
CID 334860
6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-[(3S)-3-hydroxy-3-methylpyrrolidin-1-yl]-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 137639342
2,6-Bis((3-methoxypropyl)amino)-4-methylnicotinonitrile
CID 103906
2-Amino-6-(2-hydroxyethylamine)pyridine-3,5-dicarbonitrile
CID 49864036
2,6-Bis((2-hydroxyethyl)amino)-4-methylnicotinonitrile
CID 170127
6-((2-Hydroxyethyl)amino)-4-methyl-2-(4-methylpiperazin-1-yl)nicotinonitrile
CID 53368791

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl(methyl)amino]-4-methyl-6-pyrrolidin-1-ylpyridine-3-carbonitrile?
The IUPAC name of 2-[2-hydroxyethyl(methyl)amino]-4-methyl-6-pyrrolidin-1-ylpyridine-3-carbonitrile (CID 53368505) is 2-[2-hydroxyethyl(methyl)amino]-4-methyl-6-pyrrolidin-1-ylpyridine-3-carbonitrile.
What is the SMILES notation for 2-[2-hydroxyethyl(methyl)amino]-4-methyl-6-pyrrolidin-1-ylpyridine-3-carbonitrile?
The canonical SMILES for 2-[2-hydroxyethyl(methyl)amino]-4-methyl-6-pyrrolidin-1-ylpyridine-3-carbonitrile is Cc1cc(N2CCCC2)nc(N(C)CCO)c1C#N.
What is the InChIKey of 2-[2-hydroxyethyl(methyl)amino]-4-methyl-6-pyrrolidin-1-ylpyridine-3-carbonitrile?
The InChIKey is JXZHHZSTXMWAJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-11-9-13(18-5-3-4-6-18)16-14(12(11)10-15)17(2)7-8-19/h9,19H,3-8H2,1-2H3.
What are the key properties of 2-[2-hydroxyethyl(methyl)amino]-4-methyl-6-pyrrolidin-1-ylpyridine-3-carbonitrile?
2-[2-hydroxyethyl(methyl)amino]-4-methyl-6-pyrrolidin-1-ylpyridine-3-carbonitrile has a molecular weight of 260.34 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl(methyl)amino]-4-methyl-6-pyrrolidin-1-ylpyridine-3-carbonitrile is sourced from PubChem (CID 53368505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).