6-(3,5-difluoroanilino)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylic acid

C17H17F2N3O4 — CID 171832196

IUPAC6-(3,5-difluoroanilino)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)Nc1cc(Nc2cc(F)cc(F)c2)nc(C(=O)O)c1
InChIInChI=1S/C17H17F2N3O4/c1-17(2,3)26-16(25)21-12-7-13(15(23)24)22-14(8-12)20-11-5-9(18)4-10(19)6-11/h4-8H,1-3H3,(H,23,24)(H2,20,21,22,25)
InChIKeyUUGLSTWPGIICKA-UHFFFAOYSA-N
MW365.34 g/mol
LogP4.15
Rot. Bonds4

About 6-(3,5-difluoroanilino)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylic acid

6-(3,5-difluoroanilino)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylic acid (PubChem CID 171832196) has the molecular formula C17H17F2N3O4 and a molecular weight of 365.34 g/mol. Its IUPAC name is 6-(3,5-difluoroanilino)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(3,5-difluoroanilino)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylic acid
PubChem CID171832196
Molecular FormulaC17H17F2N3O4
Molecular Weight365.34 g/mol
Exact Mass365.12
IUPAC Name6-(3,5-difluoroanilino)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)Nc1cc(Nc2cc(F)cc(F)c2)nc(C(=O)O)c1
InChIInChI=1S/C17H17F2N3O4/c1-17(2,3)26-16(25)21-12-7-13(15(23)24)22-14(8-12)20-11-5-9(18)4-10(19)6-11/h4-8H,1-3H3,(H,23,24)(H2,20,21,22,25)
InChIKeyUUGLSTWPGIICKA-UHFFFAOYSA-N
XLogP4.15
TPSA100.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.34
LogP ≤ 54.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 6-(3,5-difluoroanilino)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylic acid with MolForge

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Related Compounds

tert-butyl N-[2-(3,5-difluoroanilino)-6-(2,3-dihydro-1H-inden-2-ylcarbamoyl)-4-pyridinyl]carbamate
CID 156745425
tert-butyl N-[2-(3-fluoroanilino)-6-[(3-methylphenyl)carbamoyl]-4-pyridinyl]carbamate
CID 156745399
tert-butyl N-[2-(2-fluoroanilino)-6-[(5-fluoro-2,3-dihydro-1H-inden-2-yl)carbamoyl]-4-pyridinyl]carbamate
CID 171832228
tert-butyl N-[6-(2,3-dihydro-1H-inden-2-ylcarbamoyl)-4-(2-fluoroanilino)-2-pyridinyl]carbamate
CID 156745422
tert-butyl N-[2-(2,3-dihydro-1H-inden-2-ylcarbamoyl)-6-(3-hydroxyanilino)-4-pyridinyl]carbamate
CID 156745363
tert-butyl N-(2,6-dibromo-4-pyridinyl)carbamate
CID 121232345
8-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]quinoline-2-carboxylic acid
CID 129451004
tert-butyl N-[2-(1,3-benzodioxol-4-ylamino)-6-(phenylcarbamoyl)-4-pyridinyl]carbamate
CID 156745373
tert-butyl N-[2-(2,3-dihydro-1H-inden-2-ylcarbamoyl)-6-(2-methoxyanilino)-4-pyridinyl]carbamate
CID 156745389
tert-butyl N-[3-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamate
CID 123753749
methyl 4-[[6-[2,3-dihydro-1H-inden-2-yl-[(2-methylpropan-2-yl)oxycarbonyl]carbamoyl]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]amino]-3-fluorobenzoate
CID 171832146
tert-butyl N-[4-[1-(3,5-difluorophenyl)ethylamino]phenyl]carbamate
CID 113354871

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-difluoroanilino)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylic acid?
The IUPAC name of 6-(3,5-difluoroanilino)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylic acid (CID 171832196) is 6-(3,5-difluoroanilino)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-(3,5-difluoroanilino)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylic acid?
The canonical SMILES for 6-(3,5-difluoroanilino)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylic acid is CC(C)(C)OC(=O)Nc1cc(Nc2cc(F)cc(F)c2)nc(C(=O)O)c1.
What is the InChIKey of 6-(3,5-difluoroanilino)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylic acid?
The InChIKey is UUGLSTWPGIICKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N3O4/c1-17(2,3)26-16(25)21-12-7-13(15(23)24)22-14(8-12)20-11-5-9(18)4-10(19)6-11/h4-8H,1-3H3,(H,23,24)(H2,20,21,22,25).
What are the key properties of 6-(3,5-difluoroanilino)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylic acid?
6-(3,5-difluoroanilino)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylic acid has a molecular weight of 365.34 g/mol, XLogP of 4.15, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-difluoroanilino)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylic acid is sourced from PubChem (CID 171832196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).