1-(5-cyano-6-methylpyridine-2-carbonyl)-N-(2,4-dichlorophenyl)piperidine-2-carboxamide

C20H18Cl2N4O2 — CID 78864921

IUPAC1-(5-cyano-6-methylpyridine-2-carbonyl)-N-(2,4-dichlorophenyl)piperidine-2-carboxamide
SMILESCc1nc(C(=O)N2CCCCC2C(=O)Nc2ccc(Cl)cc2Cl)ccc1C#N
InChIInChI=1S/C20H18Cl2N4O2/c1-12-13(11-23)5-7-17(24-12)20(28)26-9-3-2-4-18(26)19(27)25-16-8-6-14(21)10-15(16)22/h5-8,10,18H,2-4,9H2,1H3,(H,25,27)
InChIKeyQAXMXKJDJJSOPB-UHFFFAOYSA-N
MW417.30 g/mol
LogP4.20
Rot. Bonds3

About 1-(5-cyano-6-methylpyridine-2-carbonyl)-N-(2,4-dichlorophenyl)piperidine-2-carboxamide

1-(5-cyano-6-methylpyridine-2-carbonyl)-N-(2,4-dichlorophenyl)piperidine-2-carboxamide (PubChem CID 78864921) has the molecular formula C20H18Cl2N4O2 and a molecular weight of 417.30 g/mol. Its IUPAC name is 1-(5-cyano-6-methylpyridine-2-carbonyl)-N-(2,4-dichlorophenyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name1-(5-cyano-6-methylpyridine-2-carbonyl)-N-(2,4-dichlorophenyl)piperidine-2-carboxamide
PubChem CID78864921
Molecular FormulaC20H18Cl2N4O2
Molecular Weight417.30 g/mol
Exact Mass416.08
IUPAC Name1-(5-cyano-6-methylpyridine-2-carbonyl)-N-(2,4-dichlorophenyl)piperidine-2-carboxamide
SMILESCc1nc(C(=O)N2CCCCC2C(=O)Nc2ccc(Cl)cc2Cl)ccc1C#N
InChIInChI=1S/C20H18Cl2N4O2/c1-12-13(11-23)5-7-17(24-12)20(28)26-9-3-2-4-18(26)19(27)25-16-8-6-14(21)10-15(16)22/h5-8,10,18H,2-4,9H2,1H3,(H,25,27)
InChIKeyQAXMXKJDJJSOPB-UHFFFAOYSA-N
XLogP4.20
TPSA86.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.30
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-dichlorophenyl)-1-(6-oxo-1H-pyridazine-3-carbonyl)piperidine-2-carboxamide
CID 87017517
N-(2,4-dichlorophenyl)-1-(2-methylpyrazole-3-carbonyl)piperidine-2-carboxamide
CID 126792477
(2S)-1-(3-aminopyrazine-2-carbonyl)-N-(2,4-dichlorophenyl)piperidine-2-carboxamide
CID 99607470
N-(2,4-dichlorophenyl)-1-(4-methylsulfanyl-3-nitrobenzoyl)piperidine-2-carboxamide
CID 112822333
6-[2-(hydroxymethyl)azepane-1-carbonyl]-2-methylpyridine-3-carbonitrile
CID 116636076
N-(2,4-dichlorophenyl)-1-(1-phenylpyrazole-4-carbonyl)piperidine-2-carboxamide
CID 78884267
1-(3-aminopropanoyl)-N-(2,4-dichlorophenyl)piperidine-2-carboxamide;hydrochloride
CID 119293641
N-(2,4-dichlorophenyl)-1-(2-methylsulfonylpropanoyl)piperidine-2-carboxamide
CID 78899906
1-(2-aminopentanoyl)-N-(2,4-dichlorophenyl)piperidine-2-carboxamide;hydrochloride
CID 119293647
N-(2,4-dichlorophenyl)-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]piperidine-2-carboxamide
CID 78864914
1-(2-cyanoacetyl)-N-(2,5-dichlorophenyl)piperidine-2-carboxamide
CID 119034202
(2R)-1-(2-cyanoacetyl)-N-(2,5-dichlorophenyl)piperidine-2-carboxamide
CID 100615611

Frequently Asked Questions

What is the IUPAC name of 1-(5-cyano-6-methylpyridine-2-carbonyl)-N-(2,4-dichlorophenyl)piperidine-2-carboxamide?
The IUPAC name of 1-(5-cyano-6-methylpyridine-2-carbonyl)-N-(2,4-dichlorophenyl)piperidine-2-carboxamide (CID 78864921) is 1-(5-cyano-6-methylpyridine-2-carbonyl)-N-(2,4-dichlorophenyl)piperidine-2-carboxamide.
What is the SMILES notation for 1-(5-cyano-6-methylpyridine-2-carbonyl)-N-(2,4-dichlorophenyl)piperidine-2-carboxamide?
The canonical SMILES for 1-(5-cyano-6-methylpyridine-2-carbonyl)-N-(2,4-dichlorophenyl)piperidine-2-carboxamide is Cc1nc(C(=O)N2CCCCC2C(=O)Nc2ccc(Cl)cc2Cl)ccc1C#N.
What is the InChIKey of 1-(5-cyano-6-methylpyridine-2-carbonyl)-N-(2,4-dichlorophenyl)piperidine-2-carboxamide?
The InChIKey is QAXMXKJDJJSOPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2N4O2/c1-12-13(11-23)5-7-17(24-12)20(28)26-9-3-2-4-18(26)19(27)25-16-8-6-14(21)10-15(16)22/h5-8,10,18H,2-4,9H2,1H3,(H,25,27).
What are the key properties of 1-(5-cyano-6-methylpyridine-2-carbonyl)-N-(2,4-dichlorophenyl)piperidine-2-carboxamide?
1-(5-cyano-6-methylpyridine-2-carbonyl)-N-(2,4-dichlorophenyl)piperidine-2-carboxamide has a molecular weight of 417.30 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyano-6-methylpyridine-2-carbonyl)-N-(2,4-dichlorophenyl)piperidine-2-carboxamide is sourced from PubChem (CID 78864921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).