tert-butyl N-[2-(2,3-dihydro-1H-inden-2-ylcarbamoyl)-6-(3-hydroxyanilino)-4-pyridinyl]carbamate

C26H28N4O4 — CID 156745363

IUPACtert-butyl N-[2-(2,3-dihydro-1H-inden-2-ylcarbamoyl)-6-(3-hydroxyanilino)-4-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cc(Nc2cccc(O)c2)nc(C(=O)NC2Cc3ccccc3C2)c1
InChIInChI=1S/C26H28N4O4/c1-26(2,3)34-25(33)29-20-14-22(30-23(15-20)27-18-9-6-10-21(31)13-18)24(32)28-19-11-16-7-4-5-8-17(16)12-19/h4-10,13-15,19,31H,11-12H2,1-3H3,(H,28,32)(H2,27,29,30,33)
InChIKeyBIXICHXLDJRZAN-UHFFFAOYSA-N
MW460.53 g/mol
LogP4.78
Rot. Bonds5

About tert-butyl N-[2-(2,3-dihydro-1H-inden-2-ylcarbamoyl)-6-(3-hydroxyanilino)-4-pyridinyl]carbamate

tert-butyl N-[2-(2,3-dihydro-1H-inden-2-ylcarbamoyl)-6-(3-hydroxyanilino)-4-pyridinyl]carbamate (PubChem CID 156745363) has the molecular formula C26H28N4O4 and a molecular weight of 460.53 g/mol. Its IUPAC name is tert-butyl N-[2-(2,3-dihydro-1H-inden-2-ylcarbamoyl)-6-(3-hydroxyanilino)-4-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(2,3-dihydro-1H-inden-2-ylcarbamoyl)-6-(3-hydroxyanilino)-4-pyridinyl]carbamate
PubChem CID156745363
Molecular FormulaC26H28N4O4
Molecular Weight460.53 g/mol
Exact Mass460.21
IUPAC Nametert-butyl N-[2-(2,3-dihydro-1H-inden-2-ylcarbamoyl)-6-(3-hydroxyanilino)-4-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cc(Nc2cccc(O)c2)nc(C(=O)NC2Cc3ccccc3C2)c1
InChIInChI=1S/C26H28N4O4/c1-26(2,3)34-25(33)29-20-14-22(30-23(15-20)27-18-9-6-10-21(31)13-18)24(32)28-19-11-16-7-4-5-8-17(16)12-19/h4-10,13-15,19,31H,11-12H2,1-3H3,(H,28,32)(H2,27,29,30,33)
InChIKeyBIXICHXLDJRZAN-UHFFFAOYSA-N
XLogP4.78
TPSA112.58 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.53
LogP ≤ 54.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[2-(2,3-dihydro-1H-inden-2-ylcarbamoyl)-6-(3-hydroxyanilino)-4-pyridinyl]carbamate 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-(2,3-dihydro-1H-inden-2-ylcarbamoyl)-6-(2-methoxyanilino)-4-pyridinyl]carbamate
CID 156745389
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-(3-fluoroanilino)-6-[(3-methylphenyl)carbamoyl]-4-pyridinyl]carbamate
CID 156745399
tert-butyl N-[2-(1,3-benzodioxol-4-ylamino)-6-(phenylcarbamoyl)-4-pyridinyl]carbamate
CID 156745373
6-(3,5-difluoroanilino)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylic acid
CID 171832196
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-[3-[[5-fluoro-4-(3-hydroxyanilino)pyrimidin-2-yl]amino]phenyl]carbamate
CID 155926735
tert-butyl N-[4-[(3-hydroxybenzoyl)amino]phenyl]carbamate
CID 131844196
tert-butyl 2-(2,3-dihydro-1H-inden-2-ylcarbamoyl)benzoate
CID 91117529
N-(2,3-dihydro-1H-inden-2-yl)-6-fluoropyridine-2-carboxamide
CID 113442142

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(2,3-dihydro-1H-inden-2-ylcarbamoyl)-6-(3-hydroxyanilino)-4-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[2-(2,3-dihydro-1H-inden-2-ylcarbamoyl)-6-(3-hydroxyanilino)-4-pyridinyl]carbamate (CID 156745363) is tert-butyl N-[2-(2,3-dihydro-1H-inden-2-ylcarbamoyl)-6-(3-hydroxyanilino)-4-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(2,3-dihydro-1H-inden-2-ylcarbamoyl)-6-(3-hydroxyanilino)-4-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(2,3-dihydro-1H-inden-2-ylcarbamoyl)-6-(3-hydroxyanilino)-4-pyridinyl]carbamate is CC(C)(C)OC(=O)Nc1cc(Nc2cccc(O)c2)nc(C(=O)NC2Cc3ccccc3C2)c1.
What is the InChIKey of tert-butyl N-[2-(2,3-dihydro-1H-inden-2-ylcarbamoyl)-6-(3-hydroxyanilino)-4-pyridinyl]carbamate?
The InChIKey is BIXICHXLDJRZAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O4/c1-26(2,3)34-25(33)29-20-14-22(30-23(15-20)27-18-9-6-10-21(31)13-18)24(32)28-19-11-16-7-4-5-8-17(16)12-19/h4-10,13-15,19,31H,11-12H2,1-3H3,(H,28,32)(H2,27,29,30,33).
What are the key properties of tert-butyl N-[2-(2,3-dihydro-1H-inden-2-ylcarbamoyl)-6-(3-hydroxyanilino)-4-pyridinyl]carbamate?
tert-butyl N-[2-(2,3-dihydro-1H-inden-2-ylcarbamoyl)-6-(3-hydroxyanilino)-4-pyridinyl]carbamate has a molecular weight of 460.53 g/mol, XLogP of 4.78, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(2,3-dihydro-1H-inden-2-ylcarbamoyl)-6-(3-hydroxyanilino)-4-pyridinyl]carbamate is sourced from PubChem (CID 156745363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).