6-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carbonyl]-2-methylpyridine-3-carbonitrile

C15H20N4O2 — CID 66052380

IUPAC6-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carbonyl]-2-methylpyridine-3-carbonitrile
SMILESCc1nc(C(=O)N2CC(O)CC2CN(C)C)ccc1C#N
InChIInChI=1S/C15H20N4O2/c1-10-11(7-16)4-5-14(17-10)15(21)19-9-13(20)6-12(19)8-18(2)3/h4-5,12-13,20H,6,8-9H2,1-3H3
InChIKeyMLVULHSKVSLRPG-UHFFFAOYSA-N
MW288.35 g/mol
LogP0.40
Rot. Bonds3

About 6-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carbonyl]-2-methylpyridine-3-carbonitrile

6-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carbonyl]-2-methylpyridine-3-carbonitrile (PubChem CID 66052380) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 6-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carbonyl]-2-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carbonyl]-2-methylpyridine-3-carbonitrile
PubChem CID66052380
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name6-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carbonyl]-2-methylpyridine-3-carbonitrile
SMILESCc1nc(C(=O)N2CC(O)CC2CN(C)C)ccc1C#N
InChIInChI=1S/C15H20N4O2/c1-10-11(7-16)4-5-14(17-10)15(21)19-9-13(20)6-12(19)8-18(2)3/h4-5,12-13,20H,6,8-9H2,1-3H3
InChIKeyMLVULHSKVSLRPG-UHFFFAOYSA-N
XLogP0.40
TPSA80.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carbonyl]pyridine-3-carbonitrile
CID 66054662
6-[(2S,4S)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]-2-methylpyridine-3-carbonitrile
CID 129372569
6-[(2S,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]-2-methylpyridine-3-carbonitrile
CID 129481779
2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-6-methylpyridine-3-carbonitrile
CID 66055442
3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-3-oxopropanenitrile
CID 66054659
6-[2-(hydroxymethyl)azepane-1-carbonyl]-2-methylpyridine-3-carbonitrile
CID 116636076
[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-(5-methylfuran-3-yl)methanone
CID 114821788
[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-(3-hydroxyphenyl)methanone
CID 66054865
(2-chloro-4-pyridinyl)-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methanone
CID 66056211
(3-chloro-4-pyridinyl)-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methanone
CID 66483191
6-[(2R)-2-(cyclohexylmethyl)pyrrolidine-1-carbonyl]-2-methylpyridine-3-carbonitrile
CID 97210921
3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2,2-dimethyl-3-oxopropanenitrile
CID 66054462

Frequently Asked Questions

What is the IUPAC name of 6-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carbonyl]-2-methylpyridine-3-carbonitrile?
The IUPAC name of 6-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carbonyl]-2-methylpyridine-3-carbonitrile (CID 66052380) is 6-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carbonyl]-2-methylpyridine-3-carbonitrile.
What is the SMILES notation for 6-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carbonyl]-2-methylpyridine-3-carbonitrile?
The canonical SMILES for 6-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carbonyl]-2-methylpyridine-3-carbonitrile is Cc1nc(C(=O)N2CC(O)CC2CN(C)C)ccc1C#N.
What is the InChIKey of 6-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carbonyl]-2-methylpyridine-3-carbonitrile?
The InChIKey is MLVULHSKVSLRPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-10-11(7-16)4-5-14(17-10)15(21)19-9-13(20)6-12(19)8-18(2)3/h4-5,12-13,20H,6,8-9H2,1-3H3.
What are the key properties of 6-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carbonyl]-2-methylpyridine-3-carbonitrile?
6-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carbonyl]-2-methylpyridine-3-carbonitrile has a molecular weight of 288.35 g/mol, XLogP of 0.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carbonyl]-2-methylpyridine-3-carbonitrile is sourced from PubChem (CID 66052380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).