tert-butyl N-[2-(3-fluoroanilino)-6-[(3-methylphenyl)carbamoyl]-4-pyridinyl]carbamate

C24H25FN4O3 — CID 156745399

IUPACtert-butyl N-[2-(3-fluoroanilino)-6-[(3-methylphenyl)carbamoyl]-4-pyridinyl]carbamate
SMILESCc1cccc(NC(=O)c2cc(NC(=O)OC(C)(C)C)cc(Nc3cccc(F)c3)n2)c1
InChIInChI=1S/C24H25FN4O3/c1-15-7-5-9-17(11-15)27-22(30)20-13-19(28-23(31)32-24(2,3)4)14-21(29-20)26-18-10-6-8-16(25)12-18/h5-14H,1-4H3,(H,27,30)(H2,26,28,29,31)
InChIKeyRFNCFXCHBHKYOO-UHFFFAOYSA-N
MW436.49 g/mol
LogP5.87
Rot. Bonds5

About tert-butyl N-[2-(3-fluoroanilino)-6-[(3-methylphenyl)carbamoyl]-4-pyridinyl]carbamate

tert-butyl N-[2-(3-fluoroanilino)-6-[(3-methylphenyl)carbamoyl]-4-pyridinyl]carbamate (PubChem CID 156745399) has the molecular formula C24H25FN4O3 and a molecular weight of 436.49 g/mol. Its IUPAC name is tert-butyl N-[2-(3-fluoroanilino)-6-[(3-methylphenyl)carbamoyl]-4-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(3-fluoroanilino)-6-[(3-methylphenyl)carbamoyl]-4-pyridinyl]carbamate
PubChem CID156745399
Molecular FormulaC24H25FN4O3
Molecular Weight436.49 g/mol
Exact Mass436.19
IUPAC Nametert-butyl N-[2-(3-fluoroanilino)-6-[(3-methylphenyl)carbamoyl]-4-pyridinyl]carbamate
SMILESCc1cccc(NC(=O)c2cc(NC(=O)OC(C)(C)C)cc(Nc3cccc(F)c3)n2)c1
InChIInChI=1S/C24H25FN4O3/c1-15-7-5-9-17(11-15)27-22(30)20-13-19(28-23(31)32-24(2,3)4)14-21(29-20)26-18-10-6-8-16(25)12-18/h5-14H,1-4H3,(H,27,30)(H2,26,28,29,31)
InChIKeyRFNCFXCHBHKYOO-UHFFFAOYSA-N
XLogP5.87
TPSA92.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.49
LogP ≤ 55.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3,5-difluoroanilino)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylic acid
CID 171832196
tert-butyl N-[2-(3,5-difluoroanilino)-6-(2,3-dihydro-1H-inden-2-ylcarbamoyl)-4-pyridinyl]carbamate
CID 156745425
4-(3-fluoroanilino)-N-(3-methylphenyl)pyridine-2-carboxamide
CID 109219115
N-(3-chlorophenyl)-6-(3-fluoroanilino)-2-methylpyrimidine-4-carboxamide
CID 112850112
tert-butyl N-[2-(2,3-dihydro-1H-inden-2-ylcarbamoyl)-6-(3-hydroxyanilino)-4-pyridinyl]carbamate
CID 156745363
tert-butyl N-[2-(1,3-benzodioxol-4-ylamino)-6-(phenylcarbamoyl)-4-pyridinyl]carbamate
CID 156745373
6-(3-chloro-4-methylanilino)-N-(3-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112850309
N-(3-fluorophenyl)-2-methyl-6-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide
CID 112849679
tert-butyl N-[2-(2-fluoroanilino)-6-[(5-fluoro-2,3-dihydro-1H-inden-2-yl)carbamoyl]-4-pyridinyl]carbamate
CID 171832228
N-(3-chloro-4-methoxyphenyl)-6-(3-fluoroanilino)-2-methylpyrimidine-4-carboxamide
CID 112850391
2-(3-fluoroanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide
CID 109265542
2-N-(3-fluorophenyl)-4-N-(3-methylphenyl)pyridine-2,4-dicarboxamide
CID 109091177

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(3-fluoroanilino)-6-[(3-methylphenyl)carbamoyl]-4-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[2-(3-fluoroanilino)-6-[(3-methylphenyl)carbamoyl]-4-pyridinyl]carbamate (CID 156745399) is tert-butyl N-[2-(3-fluoroanilino)-6-[(3-methylphenyl)carbamoyl]-4-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(3-fluoroanilino)-6-[(3-methylphenyl)carbamoyl]-4-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(3-fluoroanilino)-6-[(3-methylphenyl)carbamoyl]-4-pyridinyl]carbamate is Cc1cccc(NC(=O)c2cc(NC(=O)OC(C)(C)C)cc(Nc3cccc(F)c3)n2)c1.
What is the InChIKey of tert-butyl N-[2-(3-fluoroanilino)-6-[(3-methylphenyl)carbamoyl]-4-pyridinyl]carbamate?
The InChIKey is RFNCFXCHBHKYOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O3/c1-15-7-5-9-17(11-15)27-22(30)20-13-19(28-23(31)32-24(2,3)4)14-21(29-20)26-18-10-6-8-16(25)12-18/h5-14H,1-4H3,(H,27,30)(H2,26,28,29,31).
What are the key properties of tert-butyl N-[2-(3-fluoroanilino)-6-[(3-methylphenyl)carbamoyl]-4-pyridinyl]carbamate?
tert-butyl N-[2-(3-fluoroanilino)-6-[(3-methylphenyl)carbamoyl]-4-pyridinyl]carbamate has a molecular weight of 436.49 g/mol, XLogP of 5.87, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(3-fluoroanilino)-6-[(3-methylphenyl)carbamoyl]-4-pyridinyl]carbamate is sourced from PubChem (CID 156745399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).