6-(2-hydroxyethylamino)-4-methyl-2-(4-methylpiperazin-1-yl)pyridine-3-carbonitrile

C14H21N5O — CID 53368791

IUPAC6-(2-hydroxyethylamino)-4-methyl-2-(4-methylpiperazin-1-yl)pyridine-3-carbonitrile
SMILESCc1cc(NCCO)nc(N2CCN(C)CC2)c1C#N
InChIInChI=1S/C14H21N5O/c1-11-9-13(16-3-8-20)17-14(12(11)10-15)19-6-4-18(2)5-7-19/h9,20H,3-8H2,1-2H3,(H,16,17)
InChIKeyBBUSDZRDGAWJME-UHFFFAOYSA-N
MW275.36 g/mol
LogP0.42
Rot. Bonds4

About 6-(2-hydroxyethylamino)-4-methyl-2-(4-methylpiperazin-1-yl)pyridine-3-carbonitrile

6-(2-hydroxyethylamino)-4-methyl-2-(4-methylpiperazin-1-yl)pyridine-3-carbonitrile (PubChem CID 53368791) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is 6-(2-hydroxyethylamino)-4-methyl-2-(4-methylpiperazin-1-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(2-hydroxyethylamino)-4-methyl-2-(4-methylpiperazin-1-yl)pyridine-3-carbonitrile
PubChem CID53368791
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name6-(2-hydroxyethylamino)-4-methyl-2-(4-methylpiperazin-1-yl)pyridine-3-carbonitrile
SMILESCc1cc(NCCO)nc(N2CCN(C)CC2)c1C#N
InChIInChI=1S/C14H21N5O/c1-11-9-13(16-3-8-20)17-14(12(11)10-15)19-6-4-18(2)5-7-19/h9,20H,3-8H2,1-2H3,(H,16,17)
InChIKeyBBUSDZRDGAWJME-UHFFFAOYSA-N
XLogP0.42
TPSA75.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4,6-Dimethyl-2-[3-(4-morpholinyl)propylamino]-3-pyridinecarbonitrile
CID 2013066
4,6-Dimethyl-2-(morpholin-4-yl)pyridine-3-carbonitrile
CID 698057
7-ethyl-1-(2-hydroxyethylamino)-3-morpholin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
CID 658426
2-Amino-4-(cyanomethyl)-6-(3-hydroxypiperidin-1-yl)pyridine-3,5-dicarbonitrile
CID 4533416
2-Amino-4-(cyanomethyl)-6-morpholin-4-ylpyridine-3,5-dicarbonitrile
CID 4615395
3-(benzylamino)-7-ethyl-1-(2-hydroxyethylamino)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
CID 658662
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-[(2-Hydroxyethyl)amino]pyridine-3-carbonitrile
CID 17860931
2,6-Bis((3-methoxypropyl)amino)-4-methylnicotinonitrile
CID 103906
2-Amino-6-(2-hydroxyethylamino)-4-pyridin-3-ylpyridine-3,5-dicarbonitrile
CID 155551596

Frequently Asked Questions

What is the IUPAC name of 6-(2-hydroxyethylamino)-4-methyl-2-(4-methylpiperazin-1-yl)pyridine-3-carbonitrile?
The IUPAC name of 6-(2-hydroxyethylamino)-4-methyl-2-(4-methylpiperazin-1-yl)pyridine-3-carbonitrile (CID 53368791) is 6-(2-hydroxyethylamino)-4-methyl-2-(4-methylpiperazin-1-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 6-(2-hydroxyethylamino)-4-methyl-2-(4-methylpiperazin-1-yl)pyridine-3-carbonitrile?
The canonical SMILES for 6-(2-hydroxyethylamino)-4-methyl-2-(4-methylpiperazin-1-yl)pyridine-3-carbonitrile is Cc1cc(NCCO)nc(N2CCN(C)CC2)c1C#N.
What is the InChIKey of 6-(2-hydroxyethylamino)-4-methyl-2-(4-methylpiperazin-1-yl)pyridine-3-carbonitrile?
The InChIKey is BBUSDZRDGAWJME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-11-9-13(16-3-8-20)17-14(12(11)10-15)19-6-4-18(2)5-7-19/h9,20H,3-8H2,1-2H3,(H,16,17).
What are the key properties of 6-(2-hydroxyethylamino)-4-methyl-2-(4-methylpiperazin-1-yl)pyridine-3-carbonitrile?
6-(2-hydroxyethylamino)-4-methyl-2-(4-methylpiperazin-1-yl)pyridine-3-carbonitrile has a molecular weight of 275.36 g/mol, XLogP of 0.42, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-hydroxyethylamino)-4-methyl-2-(4-methylpiperazin-1-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 53368791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).