6-[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]azepan-1-yl]pyridine-3-carbonitrile

C21H28N4O — CID 138049082

IUPAC6-[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]azepan-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(N2CCCC(C3CCN(C(=O)C4CC4)CC3)CC2)nc1
InChIInChI=1S/C21H28N4O/c22-14-16-3-6-20(23-15-16)24-10-1-2-17(7-11-24)18-8-12-25(13-9-18)21(26)19-4-5-19/h3,6,15,17-19H,1-2,4-5,7-13H2
InChIKeyDAWZUAUVYBVEJN-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.21
Rot. Bonds3

About 6-[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]azepan-1-yl]pyridine-3-carbonitrile

6-[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]azepan-1-yl]pyridine-3-carbonitrile (PubChem CID 138049082) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is 6-[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]azepan-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]azepan-1-yl]pyridine-3-carbonitrile
PubChem CID138049082
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC Name6-[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]azepan-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(N2CCCC(C3CCN(C(=O)C4CC4)CC3)CC2)nc1
InChIInChI=1S/C21H28N4O/c22-14-16-3-6-20(23-15-16)24-10-1-2-17(7-11-24)18-8-12-25(13-9-18)21(26)19-4-5-19/h3,6,15,17-19H,1-2,4-5,7-13H2
InChIKeyDAWZUAUVYBVEJN-UHFFFAOYSA-N
XLogP3.21
TPSA60.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]azepan-1-yl]pyridine-3-carbonitrile with MolForge

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Related Compounds

6-[4-(1-acetylpiperidine-4-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 75461915
6-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]pyridine-3-carbonitrile
CID 17449663
6-[3-(piperidine-1-carbonyl)pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 166602459
6-[4-(1-methylsulfonylpiperidine-4-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 110645072
6-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 171492679
(2S)-2-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]azepane-1-carboxamide
CID 95353407
6-(4-methylazepan-1-yl)pyridine-3-carbonitrile
CID 62045126
6-[4-(1-methylpyrrolidine-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 133279943
(3S)-1-(5-cyano-2-pyridinyl)-N-phenylpiperidine-3-carboxamide
CID 51928820
1-(5-cyano-2-pyridinyl)-N,N-dimethylpiperidine-4-carboxamide
CID 51300981
1-(5-cyano-2-pyridinyl)-N-methylpiperidine-4-carboxamide
CID 47135971
6-(4-benzoylpiperidin-1-yl)pyridine-3-carbonitrile
CID 26035276

Frequently Asked Questions

What is the IUPAC name of 6-[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]azepan-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 6-[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]azepan-1-yl]pyridine-3-carbonitrile (CID 138049082) is 6-[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]azepan-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]azepan-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]azepan-1-yl]pyridine-3-carbonitrile is N#Cc1ccc(N2CCCC(C3CCN(C(=O)C4CC4)CC3)CC2)nc1.
What is the InChIKey of 6-[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]azepan-1-yl]pyridine-3-carbonitrile?
The InChIKey is DAWZUAUVYBVEJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O/c22-14-16-3-6-20(23-15-16)24-10-1-2-17(7-11-24)18-8-12-25(13-9-18)21(26)19-4-5-19/h3,6,15,17-19H,1-2,4-5,7-13H2.
What are the key properties of 6-[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]azepan-1-yl]pyridine-3-carbonitrile?
6-[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]azepan-1-yl]pyridine-3-carbonitrile has a molecular weight of 352.48 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]azepan-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 138049082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).