6-[4-(1-methylpyrrolidine-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile

C16H21N5O — CID 133279943

IUPAC6-[4-(1-methylpyrrolidine-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
SMILESCN1CCCC1C(=O)N1CCN(c2ccc(C#N)cn2)CC1
InChIInChI=1S/C16H21N5O/c1-19-6-2-3-14(19)16(22)21-9-7-20(8-10-21)15-5-4-13(11-17)12-18-15/h4-5,12,14H,2-3,6-10H2,1H3
InChIKeyHCIHHRNPXFDSKI-UHFFFAOYSA-N
MW299.38 g/mol
LogP0.70
Rot. Bonds2

About 6-[4-(1-methylpyrrolidine-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile

6-[4-(1-methylpyrrolidine-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile (PubChem CID 133279943) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is 6-[4-(1-methylpyrrolidine-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[4-(1-methylpyrrolidine-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
PubChem CID133279943
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC Name6-[4-(1-methylpyrrolidine-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
SMILESCN1CCCC1C(=O)N1CCN(c2ccc(C#N)cn2)CC1
InChIInChI=1S/C16H21N5O/c1-19-6-2-3-14(19)16(22)21-9-7-20(8-10-21)15-5-4-13(11-17)12-18-15/h4-5,12,14H,2-3,6-10H2,1H3
InChIKeyHCIHHRNPXFDSKI-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

6-[4-(1-acetylpiperidine-4-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 75461915
(2S)-1-(5-cyano-2-pyridinyl)pyrrolidine-2-carboxylic acid
CID 30078852
6-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 171492679
6-[4-(1-methylsulfonylpiperidine-4-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 110645072
(1-methylpiperidin-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 110854882
6-[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]azepan-1-yl]pyridine-3-carbonitrile
CID 138049082
4-(5-cyano-2-pyridinyl)-N-(cyclopentylmethyl)piperazine-1-carboxamide
CID 47069365
6-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]pyridine-3-carbonitrile
CID 17449663
6-[4-[(1S,2S)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 95590816
6-[3-(piperidine-1-carbonyl)pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 166602459
6-[4-(4-methylbenzoyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 60505849
6-(4-methylazepan-1-yl)pyridine-3-carbonitrile
CID 62045126

Frequently Asked Questions

What is the IUPAC name of 6-[4-(1-methylpyrrolidine-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 6-[4-(1-methylpyrrolidine-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile (CID 133279943) is 6-[4-(1-methylpyrrolidine-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[4-(1-methylpyrrolidine-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[4-(1-methylpyrrolidine-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile is CN1CCCC1C(=O)N1CCN(c2ccc(C#N)cn2)CC1.
What is the InChIKey of 6-[4-(1-methylpyrrolidine-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile?
The InChIKey is HCIHHRNPXFDSKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c1-19-6-2-3-14(19)16(22)21-9-7-20(8-10-21)15-5-4-13(11-17)12-18-15/h4-5,12,14H,2-3,6-10H2,1H3.
What are the key properties of 6-[4-(1-methylpyrrolidine-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile?
6-[4-(1-methylpyrrolidine-2-carbonyl)piperazin-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 6-[4-(1-methylpyrrolidine-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 133279943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).