2-[2-(4-methylpiperazine-1-carbonyl)pyrrolidin-1-yl]pyridine-3-carbonitrile

C16H21N5O — CID 56789597

IUPAC2-[2-(4-methylpiperazine-1-carbonyl)pyrrolidin-1-yl]pyridine-3-carbonitrile
SMILESCN1CCN(C(=O)C2CCCN2c2ncccc2C#N)CC1
InChIInChI=1S/C16H21N5O/c1-19-8-10-20(11-9-19)16(22)14-5-3-7-21(14)15-13(12-17)4-2-6-18-15/h2,4,6,14H,3,5,7-11H2,1H3
InChIKeyIROZOVGTGHFVSE-UHFFFAOYSA-N
MW299.38 g/mol
LogP0.70
Rot. Bonds2

About 2-[2-(4-methylpiperazine-1-carbonyl)pyrrolidin-1-yl]pyridine-3-carbonitrile

2-[2-(4-methylpiperazine-1-carbonyl)pyrrolidin-1-yl]pyridine-3-carbonitrile (PubChem CID 56789597) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is 2-[2-(4-methylpiperazine-1-carbonyl)pyrrolidin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[2-(4-methylpiperazine-1-carbonyl)pyrrolidin-1-yl]pyridine-3-carbonitrile
PubChem CID56789597
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC Name2-[2-(4-methylpiperazine-1-carbonyl)pyrrolidin-1-yl]pyridine-3-carbonitrile
SMILESCN1CCN(C(=O)C2CCCN2c2ncccc2C#N)CC1
InChIInChI=1S/C16H21N5O/c1-19-8-10-20(11-9-19)16(22)14-5-3-7-21(14)15-13(12-17)4-2-6-18-15/h2,4,6,14H,3,5,7-11H2,1H3
InChIKeyIROZOVGTGHFVSE-UHFFFAOYSA-N
XLogP0.70
TPSA63.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-cyano-2-pyridinyl)pyrrolidine-2-carboxamide
CID 43183688
2-(2-pyrimidin-2-ylpyrrolidin-1-yl)pyridine-3-carbonitrile
CID 166257527
[(2R)-1-(2-tert-butylpyrimidin-4-yl)pyrrolidin-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 96528565
2-[4-[2-[4-(3-cyano-2-pyridinyl)-1,4-diazepane-1-carbonyl]cyclopropanecarbonyl]-1,4-diazepan-1-yl]pyridine-3-carbonitrile
CID 166194097
1-(3-cyano-2-pyridinyl)-2-methylpyrrolidine-3-carboxylic acid
CID 79370136
2-[3-(piperidine-1-carbonyl)pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 166602458
2-(2-phenylpyrrolidin-1-yl)pyridine-3-carbonitrile
CID 51313680
2-(2-formylpiperidin-1-yl)pyridine-3-carbonitrile
CID 62663072
2-[4-(2-propan-2-yloxane-3-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 129008465
[(2S)-1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 95583386
2-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]pyridine-3-carbonitrile
CID 94173243
2-[2-(3-methylphenyl)pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 47299056

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methylpiperazine-1-carbonyl)pyrrolidin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 2-[2-(4-methylpiperazine-1-carbonyl)pyrrolidin-1-yl]pyridine-3-carbonitrile (CID 56789597) is 2-[2-(4-methylpiperazine-1-carbonyl)pyrrolidin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[2-(4-methylpiperazine-1-carbonyl)pyrrolidin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 2-[2-(4-methylpiperazine-1-carbonyl)pyrrolidin-1-yl]pyridine-3-carbonitrile is CN1CCN(C(=O)C2CCCN2c2ncccc2C#N)CC1.
What is the InChIKey of 2-[2-(4-methylpiperazine-1-carbonyl)pyrrolidin-1-yl]pyridine-3-carbonitrile?
The InChIKey is IROZOVGTGHFVSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c1-19-8-10-20(11-9-19)16(22)14-5-3-7-21(14)15-13(12-17)4-2-6-18-15/h2,4,6,14H,3,5,7-11H2,1H3.
What are the key properties of 2-[2-(4-methylpiperazine-1-carbonyl)pyrrolidin-1-yl]pyridine-3-carbonitrile?
2-[2-(4-methylpiperazine-1-carbonyl)pyrrolidin-1-yl]pyridine-3-carbonitrile has a molecular weight of 299.38 g/mol, XLogP of 0.70, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methylpiperazine-1-carbonyl)pyrrolidin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 56789597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).