N-[2-(3,4-difluoroanilino)-2-oxoethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide

C19H20F2N4O4S — CID 30895991

IUPACN-[2-(3,4-difluoroanilino)-2-oxoethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
SMILESO=C(CNC(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1)Nc1ccc(F)c(F)c1
InChIInChI=1S/C19H20F2N4O4S/c20-16-4-3-14(10-17(16)21)24-18(26)12-23-19(27)13-5-8-25(9-6-13)30(28,29)15-2-1-7-22-11-15/h1-4,7,10-11,13H,5-6,8-9,12H2,(H,23,27)(H,24,26)
InChIKeyDRUAFKVUDGBAPQ-UHFFFAOYSA-N
MW438.46 g/mol
LogP1.52
Rot. Bonds6

About N-[2-(3,4-difluoroanilino)-2-oxoethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide

N-[2-(3,4-difluoroanilino)-2-oxoethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide (PubChem CID 30895991) has the molecular formula C19H20F2N4O4S and a molecular weight of 438.46 g/mol. Its IUPAC name is N-[2-(3,4-difluoroanilino)-2-oxoethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-difluoroanilino)-2-oxoethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
PubChem CID30895991
Molecular FormulaC19H20F2N4O4S
Molecular Weight438.46 g/mol
Exact Mass438.12
IUPAC NameN-[2-(3,4-difluoroanilino)-2-oxoethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
SMILESO=C(CNC(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1)Nc1ccc(F)c(F)c1
InChIInChI=1S/C19H20F2N4O4S/c20-16-4-3-14(10-17(16)21)24-18(26)12-23-19(27)13-5-8-25(9-6-13)30(28,29)15-2-1-7-22-11-15/h1-4,7,10-11,13H,5-6,8-9,12H2,(H,23,27)(H,24,26)
InChIKeyDRUAFKVUDGBAPQ-UHFFFAOYSA-N
XLogP1.52
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.46
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-difluorophenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 40637703
N-(3-fluoro-4-pyrazol-1-ylphenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 55819342
N-[2-(dimethylamino)-2-oxoethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 30892596
N-(4-piperidin-1-ylsulfonylphenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 55603379
N-(4-methylsulfanylphenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 46602451
N-(4-bromo-2-fluorophenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 20851605
N-(3,4-difluorophenyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 24639594
N-(cyclobutylmethyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 38653049
1-pyridin-3-ylsulfonyl-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide
CID 20851608
2-methyl-3-[(1-pyridin-3-ylsulfonylpiperidine-4-carbonyl)amino]propanoic acid
CID 120525861
N-(3-chloro-4-methoxyphenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 5309136
N-(3-nitrophenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 39887346

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-difluoroanilino)-2-oxoethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[2-(3,4-difluoroanilino)-2-oxoethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide (CID 30895991) is N-[2-(3,4-difluoroanilino)-2-oxoethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[2-(3,4-difluoroanilino)-2-oxoethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[2-(3,4-difluoroanilino)-2-oxoethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide is O=C(CNC(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1)Nc1ccc(F)c(F)c1.
What is the InChIKey of N-[2-(3,4-difluoroanilino)-2-oxoethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is DRUAFKVUDGBAPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N4O4S/c20-16-4-3-14(10-17(16)21)24-18(26)12-23-19(27)13-5-8-25(9-6-13)30(28,29)15-2-1-7-22-11-15/h1-4,7,10-11,13H,5-6,8-9,12H2,(H,23,27)(H,24,26).
What are the key properties of N-[2-(3,4-difluoroanilino)-2-oxoethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide?
N-[2-(3,4-difluoroanilino)-2-oxoethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 438.46 g/mol, XLogP of 1.52, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-difluoroanilino)-2-oxoethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 30895991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).