1-(5-cyano-2-pyridinyl)-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]piperidine-4-carboxamide

C21H23N5O3 — CID 46432232

IUPAC1-(5-cyano-2-pyridinyl)-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]piperidine-4-carboxamide
SMILESCNC(=O)COc1cccc(NC(=O)C2CCN(c3ccc(C#N)cn3)CC2)c1
InChIInChI=1S/C21H23N5O3/c1-23-20(27)14-29-18-4-2-3-17(11-18)25-21(28)16-7-9-26(10-8-16)19-6-5-15(12-22)13-24-19/h2-6,11,13,16H,7-10,14H2,1H3,(H,23,27)(H,25,28)
InChIKeyBGBCPQHQCWJNGU-UHFFFAOYSA-N
MW393.45 g/mol
LogP1.93
Rot. Bonds6

About 1-(5-cyano-2-pyridinyl)-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]piperidine-4-carboxamide

1-(5-cyano-2-pyridinyl)-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]piperidine-4-carboxamide (PubChem CID 46432232) has the molecular formula C21H23N5O3 and a molecular weight of 393.45 g/mol. Its IUPAC name is 1-(5-cyano-2-pyridinyl)-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-cyano-2-pyridinyl)-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]piperidine-4-carboxamide
PubChem CID46432232
Molecular FormulaC21H23N5O3
Molecular Weight393.45 g/mol
Exact Mass393.18
IUPAC Name1-(5-cyano-2-pyridinyl)-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]piperidine-4-carboxamide
SMILESCNC(=O)COc1cccc(NC(=O)C2CCN(c3ccc(C#N)cn3)CC2)c1
InChIInChI=1S/C21H23N5O3/c1-23-20(27)14-29-18-4-2-3-17(11-18)25-21(28)16-7-9-26(10-8-16)19-6-5-15(12-22)13-24-19/h2-6,11,13,16H,7-10,14H2,1H3,(H,23,27)(H,25,28)
InChIKeyBGBCPQHQCWJNGU-UHFFFAOYSA-N
XLogP1.93
TPSA107.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(5-cyano-2-pyridinyl)-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]piperidine-4-carboxamide with MolForge

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Related Compounds

1-(5-cyano-2-pyridinyl)-N-(3-methoxyphenyl)piperidine-4-carboxamide
CID 17438163
1-(5-cyano-2-pyridinyl)-N-(3-methylphenyl)piperidine-4-carboxamide
CID 16588037
1-(5-cyano-2-pyridinyl)-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 16588046
N-(3-bromophenyl)-1-(5-cyano-2-pyridinyl)piperidine-4-carboxamide
CID 16588035
1-(5-cyano-2-pyridinyl)-N-methylpiperidine-4-carboxamide
CID 47135971
1-(5-cyano-2-pyridinyl)-N-[3-(cyclopropylsulfamoyl)phenyl]piperidine-4-carboxamide
CID 46699660
1-(5-cyano-2-pyridinyl)-N-[3-(furan-2-carbonylamino)phenyl]piperidine-4-carboxamide
CID 46509482
N-[3-(1,3-benzothiazol-2-yl)phenyl]-1-(5-cyano-2-pyridinyl)piperidine-4-carboxamide
CID 30135877
1-(5-cyano-2-pyridinyl)-N-(2-phenoxyethyl)piperidine-4-carboxamide
CID 16597727
1-(5-cyano-2-pyridinyl)-N-(2-methylphenyl)piperidine-4-carboxamide
CID 17443908
1-(5-cyano-2-pyridinyl)-N-[4-(methylamino)cyclohexyl]piperidine-4-carboxamide
CID 166298734
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-1-(5-cyano-2-pyridinyl)piperidine-4-carboxamide
CID 46697284

Frequently Asked Questions

What is the IUPAC name of 1-(5-cyano-2-pyridinyl)-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-(5-cyano-2-pyridinyl)-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]piperidine-4-carboxamide (CID 46432232) is 1-(5-cyano-2-pyridinyl)-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(5-cyano-2-pyridinyl)-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(5-cyano-2-pyridinyl)-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]piperidine-4-carboxamide is CNC(=O)COc1cccc(NC(=O)C2CCN(c3ccc(C#N)cn3)CC2)c1.
What is the InChIKey of 1-(5-cyano-2-pyridinyl)-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]piperidine-4-carboxamide?
The InChIKey is BGBCPQHQCWJNGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O3/c1-23-20(27)14-29-18-4-2-3-17(11-18)25-21(28)16-7-9-26(10-8-16)19-6-5-15(12-22)13-24-19/h2-6,11,13,16H,7-10,14H2,1H3,(H,23,27)(H,25,28).
What are the key properties of 1-(5-cyano-2-pyridinyl)-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]piperidine-4-carboxamide?
1-(5-cyano-2-pyridinyl)-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]piperidine-4-carboxamide has a molecular weight of 393.45 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyano-2-pyridinyl)-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 46432232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).