6-(2,6-difluoroanilino)-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide

C21H19F2N3O2 — CID 109164307

IUPAC6-(2,6-difluoroanilino)-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide
SMILESCC(C)Oc1ccc(NC(=O)c2ccc(Nc3c(F)cccc3F)nc2)cc1
InChIInChI=1S/C21H19F2N3O2/c1-13(2)28-16-9-7-15(8-10-16)25-21(27)14-6-11-19(24-12-14)26-20-17(22)4-3-5-18(20)23/h3-13H,1-2H3,(H,24,26)(H,25,27)
InChIKeyUDPKFULPZJADLI-UHFFFAOYSA-N
MW383.40 g/mol
LogP5.14
Rot. Bonds6

About 6-(2,6-difluoroanilino)-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide

6-(2,6-difluoroanilino)-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide (PubChem CID 109164307) has the molecular formula C21H19F2N3O2 and a molecular weight of 383.40 g/mol. Its IUPAC name is 6-(2,6-difluoroanilino)-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(2,6-difluoroanilino)-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide
PubChem CID109164307
Molecular FormulaC21H19F2N3O2
Molecular Weight383.40 g/mol
Exact Mass383.14
IUPAC Name6-(2,6-difluoroanilino)-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide
SMILESCC(C)Oc1ccc(NC(=O)c2ccc(Nc3c(F)cccc3F)nc2)cc1
InChIInChI=1S/C21H19F2N3O2/c1-13(2)28-16-9-7-15(8-10-16)25-21(27)14-6-11-19(24-12-14)26-20-17(22)4-3-5-18(20)23/h3-13H,1-2H3,(H,24,26)(H,25,27)
InChIKeyUDPKFULPZJADLI-UHFFFAOYSA-N
XLogP5.14
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.40
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-hydrazinyl-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 62241267
6-[2-(2-fluorophenyl)ethylamino]-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109158531
6-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109164309
N-[6-(2,6-difluoroanilino)-3-pyridinyl]-3-methoxybenzamide
CID 113023123
6-(4-propan-2-yloxyanilino)-N-quinolin-8-ylpyridine-3-carboxamide
CID 109164287
N-(5-chloro-2-pyridinyl)-4-propan-2-yloxybenzamide
CID 33327699
N-cyclohexyl-6-(4-propan-2-yloxyanilino)pyridine-3-carboxamide
CID 109152499
6-(3,4-difluoroanilino)-N-(4-ethoxyphenyl)pyridine-3-carboxamide
CID 109164202
N-[5-(2,6-difluoroanilino)-2-pyridinyl]-4-methylbenzamide
CID 113037492
3-N-(4-fluorophenyl)-1-N-(4-propan-2-yloxyphenyl)benzene-1,3-dicarboxamide
CID 109057469
5-(2-fluoroanilino)-N-(4-propan-2-yloxyphenyl)pyridine-2-carboxamide
CID 109198899
6-(N-methylanilino)-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109162323

Frequently Asked Questions

What is the IUPAC name of 6-(2,6-difluoroanilino)-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide?
The IUPAC name of 6-(2,6-difluoroanilino)-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide (CID 109164307) is 6-(2,6-difluoroanilino)-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(2,6-difluoroanilino)-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide?
The canonical SMILES for 6-(2,6-difluoroanilino)-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide is CC(C)Oc1ccc(NC(=O)c2ccc(Nc3c(F)cccc3F)nc2)cc1.
What is the InChIKey of 6-(2,6-difluoroanilino)-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide?
The InChIKey is UDPKFULPZJADLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N3O2/c1-13(2)28-16-9-7-15(8-10-16)25-21(27)14-6-11-19(24-12-14)26-20-17(22)4-3-5-18(20)23/h3-13H,1-2H3,(H,24,26)(H,25,27).
What are the key properties of 6-(2,6-difluoroanilino)-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide?
6-(2,6-difluoroanilino)-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide has a molecular weight of 383.40 g/mol, XLogP of 5.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-difluoroanilino)-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 109164307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).