3-(4,4-dimethyl-3-phenylpiperidine-1-carbonyl)pyridine-2-carboxamide

C20H23N3O2 — CID 136566907

IUPAC3-(4,4-dimethyl-3-phenylpiperidine-1-carbonyl)pyridine-2-carboxamide
SMILESCC1(C)CCN(C(=O)c2cccnc2C(N)=O)CC1c1ccccc1
InChIInChI=1S/C20H23N3O2/c1-20(2)10-12-23(13-16(20)14-7-4-3-5-8-14)19(25)15-9-6-11-22-17(15)18(21)24/h3-9,11,16H,10,12-13H2,1-2H3,(H2,21,24)
InChIKeyWYQLKUYADUHFTJ-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.84
Rot. Bonds3

About 3-(4,4-dimethyl-3-phenylpiperidine-1-carbonyl)pyridine-2-carboxamide

3-(4,4-dimethyl-3-phenylpiperidine-1-carbonyl)pyridine-2-carboxamide (PubChem CID 136566907) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 3-(4,4-dimethyl-3-phenylpiperidine-1-carbonyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-(4,4-dimethyl-3-phenylpiperidine-1-carbonyl)pyridine-2-carboxamide
PubChem CID136566907
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name3-(4,4-dimethyl-3-phenylpiperidine-1-carbonyl)pyridine-2-carboxamide
SMILESCC1(C)CCN(C(=O)c2cccnc2C(N)=O)CC1c1ccccc1
InChIInChI=1S/C20H23N3O2/c1-20(2)10-12-23(13-16(20)14-7-4-3-5-8-14)19(25)15-9-6-11-22-17(15)18(21)24/h3-9,11,16H,10,12-13H2,1-2H3,(H2,21,24)
InChIKeyWYQLKUYADUHFTJ-UHFFFAOYSA-N
XLogP2.84
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4,4-dimethyl-3-phenylpiperidin-1-yl)-([1,2,4]triazolo[1,5-a]pyridin-5-yl)methanone
CID 136566908
4,4-dimethyl-N-(3-methylpyridazin-4-yl)-3-phenylpiperidine-1-carboxamide
CID 136562887
3-(4-methyl-3-thiophen-2-ylpiperazine-1-carbonyl)pyridine-2-carboxamide
CID 166315721
2-(3-aminopyrrolidine-1-carbonyl)pyridine-3-carboxylic acid
CID 55248178
N'-hydroxy-4-methyl-1-(2-methylpyridine-3-carbonyl)piperidine-4-carboximidamide
CID 107162575
2-[3-methyl-3-(methylcarbamoyl)pyrrolidine-1-carbonyl]pyridine-3-carboxylic acid
CID 106317951
[(4S)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-(4-methylpyrimidin-5-yl)methanone
CID 124588870
(2-hydrazinyl-3-pyridinyl)-(3-phenylpyrrolidin-1-yl)methanone
CID 62236169
(3,3-dimethyl-4-phenylpyrrolidin-1-yl)-[2-(1H-1,2,4-triazol-5-yl)phenyl]methanone
CID 119067365
[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methanone
CID 124588883
3-(7,7-difluoro-6-methyl-3-azabicyclo[4.1.0]heptane-3-carbonyl)pyrazine-2-carboxamide
CID 128530458
3-[(5S)-5-ethoxy-2-azabicyclo[2.2.1]heptane-2-carbonyl]pyridine-2-carboxamide
CID 131687984

Frequently Asked Questions

What is the IUPAC name of 3-(4,4-dimethyl-3-phenylpiperidine-1-carbonyl)pyridine-2-carboxamide?
The IUPAC name of 3-(4,4-dimethyl-3-phenylpiperidine-1-carbonyl)pyridine-2-carboxamide (CID 136566907) is 3-(4,4-dimethyl-3-phenylpiperidine-1-carbonyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-(4,4-dimethyl-3-phenylpiperidine-1-carbonyl)pyridine-2-carboxamide?
The canonical SMILES for 3-(4,4-dimethyl-3-phenylpiperidine-1-carbonyl)pyridine-2-carboxamide is CC1(C)CCN(C(=O)c2cccnc2C(N)=O)CC1c1ccccc1.
What is the InChIKey of 3-(4,4-dimethyl-3-phenylpiperidine-1-carbonyl)pyridine-2-carboxamide?
The InChIKey is WYQLKUYADUHFTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-20(2)10-12-23(13-16(20)14-7-4-3-5-8-14)19(25)15-9-6-11-22-17(15)18(21)24/h3-9,11,16H,10,12-13H2,1-2H3,(H2,21,24).
What are the key properties of 3-(4,4-dimethyl-3-phenylpiperidine-1-carbonyl)pyridine-2-carboxamide?
3-(4,4-dimethyl-3-phenylpiperidine-1-carbonyl)pyridine-2-carboxamide has a molecular weight of 337.42 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4-dimethyl-3-phenylpiperidine-1-carbonyl)pyridine-2-carboxamide is sourced from PubChem (CID 136566907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).