6-[(3R,4R)-3-[[ethyl(2-hydroxyethyl)amino]methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]pyridine-2-carbonitrile

C16H24N4O2 — CID 70754941

IUPAC6-[(3R,4R)-3-[[ethyl(2-hydroxyethyl)amino]methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]pyridine-2-carbonitrile
SMILESCCN(CCO)C[C@@H]1CN(c2cccc(C#N)n2)C[C@@H]1CO
InChIInChI=1S/C16H24N4O2/c1-2-19(6-7-21)9-13-10-20(11-14(13)12-22)16-5-3-4-15(8-17)18-16/h3-5,13-14,21-22H,2,6-7,9-12H2,1H3/t13-,14-/m1/s1
InChIKeyMUDKYFQIHQOZRO-ZIAGYGMSSA-N
MW304.39 g/mol
LogP0.31
Rot. Bonds7

About 6-[(3R,4R)-3-[[ethyl(2-hydroxyethyl)amino]methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]pyridine-2-carbonitrile

6-[(3R,4R)-3-[[ethyl(2-hydroxyethyl)amino]methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]pyridine-2-carbonitrile (PubChem CID 70754941) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 6-[(3R,4R)-3-[[ethyl(2-hydroxyethyl)amino]methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[(3R,4R)-3-[[ethyl(2-hydroxyethyl)amino]methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]pyridine-2-carbonitrile
PubChem CID70754941
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name6-[(3R,4R)-3-[[ethyl(2-hydroxyethyl)amino]methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]pyridine-2-carbonitrile
SMILESCCN(CCO)C[C@@H]1CN(c2cccc(C#N)n2)C[C@@H]1CO
InChIInChI=1S/C16H24N4O2/c1-2-19(6-7-21)9-13-10-20(11-14(13)12-22)16-5-3-4-15(8-17)18-16/h3-5,13-14,21-22H,2,6-7,9-12H2,1H3/t13-,14-/m1/s1
InChIKeyMUDKYFQIHQOZRO-ZIAGYGMSSA-N
XLogP0.31
TPSA83.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-[(3R,4R)-3-[[ethyl(2-hydroxyethyl)amino]methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]pyridine-2-carbonitrile with MolForge

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Related Compounds

[(2S)-1,9-dimethyl-5-(3-methylbutyl)-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-2-yl]methanol
CID 75529256
(2R)-3-methyl-2-[(6-pyrrolidin-1-yl-2-pyridinyl)methylamino]butan-1-ol
CID 68312570
2-((2-Hydroxyethyl)(methyl)amino)-4-methyl-6-(pyrrolidin-1-yl)nicotinonitrile
CID 53368505
2-[ethyl-[[(3R,4R)-4-(hydroxymethyl)-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]methyl]amino]ethanol
CID 70706670
2-[ethyl({(3R*,4R*)-4-(hydroxymethyl)-1-[6-(trifluoromethyl)pyridin-2-yl]pyrrolidin-3-yl}methyl)amino]ethanol
CID 70709352
2-[({(3R*,4R*)-4-(hydroxymethyl)-1-[6-methyl-4-(trifluoromethyl)pyridin-2-yl]pyrrolidin-3-yl}methyl)(methyl)amino]ethanol
CID 70712052
[(3R*,4R*)-1-[6-methyl-4-(trifluoromethyl)pyridin-2-yl]-4-(morpholin-4-ylmethyl)pyrrolidin-3-yl]methanol
CID 70759852
2-[(3R)-3-hydroxy-3,4,4-trimethyl-1-pyrrolidinyl]-6-isopropylnicotinonitrile
CID 72880204
2-[(3R)-3-hydroxy-3,4,4-trimethyl-1-pyrrolidinyl]-6-methylnicotinonitrile
CID 72911674
[(2S)-1,9-dimethyl-5-propyl-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-2-yl]methanol
CID 75529262
[(2S)-1,9-dimethyl-5-(2-methylpropyl)-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-2-yl]methanol
CID 100654508
2-[4-Cyclopentyl-3-(2-hydroxyethyl)-1-piperazinyl]-6-methylnicotinonitrile
CID 56900507

Frequently Asked Questions

What is the IUPAC name of 6-[(3R,4R)-3-[[ethyl(2-hydroxyethyl)amino]methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]pyridine-2-carbonitrile?
The IUPAC name of 6-[(3R,4R)-3-[[ethyl(2-hydroxyethyl)amino]methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]pyridine-2-carbonitrile (CID 70754941) is 6-[(3R,4R)-3-[[ethyl(2-hydroxyethyl)amino]methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[(3R,4R)-3-[[ethyl(2-hydroxyethyl)amino]methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]pyridine-2-carbonitrile?
The canonical SMILES for 6-[(3R,4R)-3-[[ethyl(2-hydroxyethyl)amino]methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]pyridine-2-carbonitrile is CCN(CCO)C[C@@H]1CN(c2cccc(C#N)n2)C[C@@H]1CO.
What is the InChIKey of 6-[(3R,4R)-3-[[ethyl(2-hydroxyethyl)amino]methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]pyridine-2-carbonitrile?
The InChIKey is MUDKYFQIHQOZRO-ZIAGYGMSSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-2-19(6-7-21)9-13-10-20(11-14(13)12-22)16-5-3-4-15(8-17)18-16/h3-5,13-14,21-22H,2,6-7,9-12H2,1H3/t13-,14-/m1/s1.
What are the key properties of 6-[(3R,4R)-3-[[ethyl(2-hydroxyethyl)amino]methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]pyridine-2-carbonitrile?
6-[(3R,4R)-3-[[ethyl(2-hydroxyethyl)amino]methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]pyridine-2-carbonitrile has a molecular weight of 304.39 g/mol, XLogP of 0.31, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3R,4R)-3-[[ethyl(2-hydroxyethyl)amino]methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 70754941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).