N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-methyl-6-phenylpyridine-3-carboxamide

C21H17F2N3O2 — CID 27772966

IUPACN-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-methyl-6-phenylpyridine-3-carboxamide
SMILESCc1nc(-c2ccccc2)ccc1C(=O)NCC(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C21H17F2N3O2/c1-13-16(8-10-19(25-13)14-5-3-2-4-6-14)21(28)24-12-20(27)26-15-7-9-17(22)18(23)11-15/h2-11H,12H2,1H3,(H,24,28)(H,26,27)
InChIKeyUCLHOQOKFZYZJR-UHFFFAOYSA-N
MW381.38 g/mol
LogP3.70
Rot. Bonds5

About N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-methyl-6-phenylpyridine-3-carboxamide

N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-methyl-6-phenylpyridine-3-carboxamide (PubChem CID 27772966) has the molecular formula C21H17F2N3O2 and a molecular weight of 381.38 g/mol. Its IUPAC name is N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-methyl-6-phenylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-methyl-6-phenylpyridine-3-carboxamide
PubChem CID27772966
Molecular FormulaC21H17F2N3O2
Molecular Weight381.38 g/mol
Exact Mass381.13
IUPAC NameN-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-methyl-6-phenylpyridine-3-carboxamide
SMILESCc1nc(-c2ccccc2)ccc1C(=O)NCC(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C21H17F2N3O2/c1-13-16(8-10-19(25-13)14-5-3-2-4-6-14)21(28)24-12-20(27)26-15-7-9-17(22)18(23)11-15/h2-11H,12H2,1H3,(H,24,28)(H,26,27)
InChIKeyUCLHOQOKFZYZJR-UHFFFAOYSA-N
XLogP3.70
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.38
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-methylbenzamide
CID 17395084
N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2,3,4-trifluorobenzamide
CID 113002351
N-(3,4-difluorophenyl)-2-(phenylcarbamoylamino)acetamide
CID 17451179
[2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl] 2-methyl-6-phenylpyridine-3-carboxylate
CID 55462780
N-[3-(carbamoylamino)phenyl]-2-methyl-6-phenylpyridine-3-carboxamide
CID 36823885
N-(3,4-difluorophenyl)-2-(4-methyl-2-phenyl-1,3-oxazol-5-yl)acetamide
CID 110651460
N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-ethoxypyridine-3-carboxamide
CID 7930200
N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 42989993
N-[2-(3,4-difluoroanilino)-2-oxoethyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 38032304
N-(3-methoxyphenyl)-2-methyl-6-phenylpyridine-3-carboxamide
CID 17498937
N-(3,4-difluorophenyl)-2-(1-phenylethylamino)acetamide
CID 78289102
methyl N-[2-(3,4-difluoroanilino)-2-oxoethyl]carbamate
CID 47129041

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-methyl-6-phenylpyridine-3-carboxamide?
The IUPAC name of N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-methyl-6-phenylpyridine-3-carboxamide (CID 27772966) is N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-methyl-6-phenylpyridine-3-carboxamide.
What is the SMILES notation for N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-methyl-6-phenylpyridine-3-carboxamide?
The canonical SMILES for N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-methyl-6-phenylpyridine-3-carboxamide is Cc1nc(-c2ccccc2)ccc1C(=O)NCC(=O)Nc1ccc(F)c(F)c1.
What is the InChIKey of N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-methyl-6-phenylpyridine-3-carboxamide?
The InChIKey is UCLHOQOKFZYZJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2N3O2/c1-13-16(8-10-19(25-13)14-5-3-2-4-6-14)21(28)24-12-20(27)26-15-7-9-17(22)18(23)11-15/h2-11H,12H2,1H3,(H,24,28)(H,26,27).
What are the key properties of N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-methyl-6-phenylpyridine-3-carboxamide?
N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-methyl-6-phenylpyridine-3-carboxamide has a molecular weight of 381.38 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-methyl-6-phenylpyridine-3-carboxamide is sourced from PubChem (CID 27772966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).