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

C27H30N4O4 — CID 156745389

IUPACtert-butyl N-[2-(2,3-dihydro-1H-inden-2-ylcarbamoyl)-6-(2-methoxyanilino)-4-pyridinyl]carbamate
SMILESCOc1ccccc1Nc1cc(NC(=O)OC(C)(C)C)cc(C(=O)NC2Cc3ccccc3C2)n1
InChIInChI=1S/C27H30N4O4/c1-27(2,3)35-26(33)29-20-15-22(25(32)28-19-13-17-9-5-6-10-18(17)14-19)31-24(16-20)30-21-11-7-8-12-23(21)34-4/h5-12,15-16,19H,13-14H2,1-4H3,(H,28,32)(H2,29,30,31,33)
InChIKeyCKKBIRVJSUXPQG-UHFFFAOYSA-N
MW474.56 g/mol
LogP5.08
Rot. Bonds6

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

tert-butyl N-[2-(2,3-dihydro-1H-inden-2-ylcarbamoyl)-6-(2-methoxyanilino)-4-pyridinyl]carbamate (PubChem CID 156745389) has the molecular formula C27H30N4O4 and a molecular weight of 474.56 g/mol. Its IUPAC name is tert-butyl N-[2-(2,3-dihydro-1H-inden-2-ylcarbamoyl)-6-(2-methoxyanilino)-4-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(2,3-dihydro-1H-inden-2-ylcarbamoyl)-6-(2-methoxyanilino)-4-pyridinyl]carbamate
PubChem CID156745389
Molecular FormulaC27H30N4O4
Molecular Weight474.56 g/mol
Exact Mass474.23
IUPAC Nametert-butyl N-[2-(2,3-dihydro-1H-inden-2-ylcarbamoyl)-6-(2-methoxyanilino)-4-pyridinyl]carbamate
SMILESCOc1ccccc1Nc1cc(NC(=O)OC(C)(C)C)cc(C(=O)NC2Cc3ccccc3C2)n1
InChIInChI=1S/C27H30N4O4/c1-27(2,3)35-26(33)29-20-15-22(25(32)28-19-13-17-9-5-6-10-18(17)14-19)31-24(16-20)30-21-11-7-8-12-23(21)34-4/h5-12,15-16,19H,13-14H2,1-4H3,(H,28,32)(H2,29,30,31,33)
InChIKeyCKKBIRVJSUXPQG-UHFFFAOYSA-N
XLogP5.08
TPSA101.58 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.56
LogP ≤ 55.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[2-(2,3-dihydro-1H-inden-2-ylcarbamoyl)-6-(3-hydroxyanilino)-4-pyridinyl]carbamate
CID 156745363
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-[2-(3,5-difluoroanilino)-6-(2,3-dihydro-1H-inden-2-ylcarbamoyl)-4-pyridinyl]carbamate
CID 156745425
tert-butyl N-[6-(2,3-dihydro-1H-inden-2-ylcarbamoyl)-4-(2-fluoroanilino)-2-pyridinyl]carbamate
CID 156745422
tert-butyl N-[6-(2-methoxyanilino)-3-pyridinyl]carbamate
CID 113019334
N-cycloheptyl-6-(2-methoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 109373996
N-cyclopropyl-6-(2-methoxyanilino)-2-phenylpyrimidine-4-carboxamide
CID 112851919
tert-butyl N-[2-(1,3-benzodioxol-4-ylamino)-6-(phenylcarbamoyl)-4-pyridinyl]carbamate
CID 156745373
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
N-tert-butyl-6-(2-methoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 109373828
6-(3,5-difluoroanilino)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylic acid
CID 171832196
tert-butyl N-[2-(3-fluoroanilino)-6-[(3-methylphenyl)carbamoyl]-4-pyridinyl]carbamate
CID 156745399

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(2,3-dihydro-1H-inden-2-ylcarbamoyl)-6-(2-methoxyanilino)-4-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[2-(2,3-dihydro-1H-inden-2-ylcarbamoyl)-6-(2-methoxyanilino)-4-pyridinyl]carbamate (CID 156745389) is tert-butyl N-[2-(2,3-dihydro-1H-inden-2-ylcarbamoyl)-6-(2-methoxyanilino)-4-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(2,3-dihydro-1H-inden-2-ylcarbamoyl)-6-(2-methoxyanilino)-4-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(2,3-dihydro-1H-inden-2-ylcarbamoyl)-6-(2-methoxyanilino)-4-pyridinyl]carbamate is COc1ccccc1Nc1cc(NC(=O)OC(C)(C)C)cc(C(=O)NC2Cc3ccccc3C2)n1.
What is the InChIKey of tert-butyl N-[2-(2,3-dihydro-1H-inden-2-ylcarbamoyl)-6-(2-methoxyanilino)-4-pyridinyl]carbamate?
The InChIKey is CKKBIRVJSUXPQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O4/c1-27(2,3)35-26(33)29-20-15-22(25(32)28-19-13-17-9-5-6-10-18(17)14-19)31-24(16-20)30-21-11-7-8-12-23(21)34-4/h5-12,15-16,19H,13-14H2,1-4H3,(H,28,32)(H2,29,30,31,33).
What are the key properties of tert-butyl N-[2-(2,3-dihydro-1H-inden-2-ylcarbamoyl)-6-(2-methoxyanilino)-4-pyridinyl]carbamate?
tert-butyl N-[2-(2,3-dihydro-1H-inden-2-ylcarbamoyl)-6-(2-methoxyanilino)-4-pyridinyl]carbamate has a molecular weight of 474.56 g/mol, XLogP of 5.08, 6 rotatable bonds, 3 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-(2-methoxyanilino)-4-pyridinyl]carbamate is sourced from PubChem (CID 156745389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).