2-[4-[1-(cyclopropanecarbonyl)azepan-2-yl]piperidin-1-yl]pyridine-3-carbonitrile

C21H28N4O — CID 56804487

IUPAC2-[4-[1-(cyclopropanecarbonyl)azepan-2-yl]piperidin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1N1CCC(C2CCCCCN2C(=O)C2CC2)CC1
InChIInChI=1S/C21H28N4O/c22-15-18-5-4-11-23-20(18)24-13-9-16(10-14-24)19-6-2-1-3-12-25(19)21(26)17-7-8-17/h4-5,11,16-17,19H,1-3,6-10,12-14H2
InChIKeyYYMIFBKTRWWPRN-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.35
Rot. Bonds3

About 2-[4-[1-(cyclopropanecarbonyl)azepan-2-yl]piperidin-1-yl]pyridine-3-carbonitrile

2-[4-[1-(cyclopropanecarbonyl)azepan-2-yl]piperidin-1-yl]pyridine-3-carbonitrile (PubChem CID 56804487) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is 2-[4-[1-(cyclopropanecarbonyl)azepan-2-yl]piperidin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[4-[1-(cyclopropanecarbonyl)azepan-2-yl]piperidin-1-yl]pyridine-3-carbonitrile
PubChem CID56804487
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC Name2-[4-[1-(cyclopropanecarbonyl)azepan-2-yl]piperidin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1N1CCC(C2CCCCCN2C(=O)C2CC2)CC1
InChIInChI=1S/C21H28N4O/c22-15-18-5-4-11-23-20(18)24-13-9-16(10-14-24)19-6-2-1-3-12-25(19)21(26)17-7-8-17/h4-5,11,16-17,19H,1-3,6-10,12-14H2
InChIKeyYYMIFBKTRWWPRN-UHFFFAOYSA-N
XLogP3.35
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 ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[4-[1-(cyclopropanecarbonyl)azepan-2-yl]piperidin-1-yl]pyridine-3-carbonitrile with MolForge

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Related Compounds

(2S)-2-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]-N-phenylazepane-1-carboxamide
CID 95337868
2-[3-(piperidine-1-carbonyl)pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 166602458
(2R)-2-[1-(3-nitro-2-pyridinyl)piperidin-4-yl]azepane-1-carboxamide
CID 95617552
2-(3-azabicyclo[4.1.0]heptan-3-yl)pyridine-3-carbonitrile
CID 117045417
2-[4-(oxolan-3-yl)piperidin-1-yl]pyridine-3-carbonitrile
CID 166209187
[4-(2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl)cyclohexyl]-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)methanone
CID 171722445
N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]cyclobutanecarboxamide
CID 121108857
2-(4-aminopiperidin-1-yl)pyridine-3-carbonitrile;trihydrochloride
CID 163329752
cyclopropyl-(2-cyclopropylpyrrolidin-1-yl)methanone
CID 110871757
N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-N-methylcyclobutanecarboxamide
CID 171335548
2-(4-methylazepan-1-yl)pyridine-3-carbonitrile
CID 55210322
2-[4-[2-[4-(3-cyano-2-pyridinyl)-1,4-diazepane-1-carbonyl]cyclopropanecarbonyl]-1,4-diazepan-1-yl]pyridine-3-carbonitrile
CID 166194097

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(cyclopropanecarbonyl)azepan-2-yl]piperidin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 2-[4-[1-(cyclopropanecarbonyl)azepan-2-yl]piperidin-1-yl]pyridine-3-carbonitrile (CID 56804487) is 2-[4-[1-(cyclopropanecarbonyl)azepan-2-yl]piperidin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[4-[1-(cyclopropanecarbonyl)azepan-2-yl]piperidin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 2-[4-[1-(cyclopropanecarbonyl)azepan-2-yl]piperidin-1-yl]pyridine-3-carbonitrile is N#Cc1cccnc1N1CCC(C2CCCCCN2C(=O)C2CC2)CC1.
What is the InChIKey of 2-[4-[1-(cyclopropanecarbonyl)azepan-2-yl]piperidin-1-yl]pyridine-3-carbonitrile?
The InChIKey is YYMIFBKTRWWPRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O/c22-15-18-5-4-11-23-20(18)24-13-9-16(10-14-24)19-6-2-1-3-12-25(19)21(26)17-7-8-17/h4-5,11,16-17,19H,1-3,6-10,12-14H2.
What are the key properties of 2-[4-[1-(cyclopropanecarbonyl)azepan-2-yl]piperidin-1-yl]pyridine-3-carbonitrile?
2-[4-[1-(cyclopropanecarbonyl)azepan-2-yl]piperidin-1-yl]pyridine-3-carbonitrile has a molecular weight of 352.48 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(cyclopropanecarbonyl)azepan-2-yl]piperidin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 56804487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).