tert-butyl N-[7-[[3-[[7-[(2-methylpropan-2-yl)oxycarbonylamino]-1,8-naphthyridin-2-yl]carbamoyl]benzoyl]amino]-1,8-naphthyridin-2-yl]carbamate

C34H34N8O6 — CID 102215304

IUPACtert-butyl N-[7-[[3-[[7-[(2-methylpropan-2-yl)oxycarbonylamino]-1,8-naphthyridin-2-yl]carbamoyl]benzoyl]amino]-1,8-naphthyridin-2-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc2ccc(NC(=O)c3cccc(C(=O)Nc4ccc5ccc(NC(=O)OC(C)(C)C)nc5n4)c3)nc2n1
InChIInChI=1S/C34H34N8O6/c1-33(2,3)47-31(45)41-25-16-12-19-10-14-23(35-27(19)37-25)39-29(43)21-8-7-9-22(18-21)30(44)40-24-15-11-20-13-17-26(38-28(20)36-24)42-32(46)48-34(4,5)6/h7-18H,1-6H3,(H2,35,37,39,41,43,45)(H2,36,38,40,42,44,46)
InChIKeyMCSQTHCAJLMUDF-UHFFFAOYSA-N
MW650.70 g/mol
LogP6.77
Rot. Bonds6

About tert-butyl N-[7-[[3-[[7-[(2-methylpropan-2-yl)oxycarbonylamino]-1,8-naphthyridin-2-yl]carbamoyl]benzoyl]amino]-1,8-naphthyridin-2-yl]carbamate

tert-butyl N-[7-[[3-[[7-[(2-methylpropan-2-yl)oxycarbonylamino]-1,8-naphthyridin-2-yl]carbamoyl]benzoyl]amino]-1,8-naphthyridin-2-yl]carbamate (PubChem CID 102215304) has the molecular formula C34H34N8O6 and a molecular weight of 650.70 g/mol. Its IUPAC name is tert-butyl N-[7-[[3-[[7-[(2-methylpropan-2-yl)oxycarbonylamino]-1,8-naphthyridin-2-yl]carbamoyl]benzoyl]amino]-1,8-naphthyridin-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[7-[[3-[[7-[(2-methylpropan-2-yl)oxycarbonylamino]-1,8-naphthyridin-2-yl]carbamoyl]benzoyl]amino]-1,8-naphthyridin-2-yl]carbamate
PubChem CID102215304
Molecular FormulaC34H34N8O6
Molecular Weight650.70 g/mol
Exact Mass650.26
IUPAC Nametert-butyl N-[7-[[3-[[7-[(2-methylpropan-2-yl)oxycarbonylamino]-1,8-naphthyridin-2-yl]carbamoyl]benzoyl]amino]-1,8-naphthyridin-2-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc2ccc(NC(=O)c3cccc(C(=O)Nc4ccc5ccc(NC(=O)OC(C)(C)C)nc5n4)c3)nc2n1
InChIInChI=1S/C34H34N8O6/c1-33(2,3)47-31(45)41-25-16-12-19-10-14-23(35-27(19)37-25)39-29(43)21-8-7-9-22(18-21)30(44)40-24-15-11-20-13-17-26(38-28(20)36-24)42-32(46)48-34(4,5)6/h7-18H,1-6H3,(H2,35,37,39,41,43,45)(H2,36,38,40,42,44,46)
InChIKeyMCSQTHCAJLMUDF-UHFFFAOYSA-N
XLogP6.77
TPSA186.42 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500650.70
LogP ≤ 56.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze tert-butyl N-[7-[[3-[[7-[(2-methylpropan-2-yl)oxycarbonylamino]-1,8-naphthyridin-2-yl]carbamoyl]benzoyl]amino]-1,8-naphthyridin-2-yl]carbamate with MolForge

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Related Compounds

tert-butyl N-[6-[[5-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]carbamoyl]pyridine-2-carbonyl]amino]-2-pyridinyl]carbamate
CID 102215306
tert-butyl N-[4-[(3-hydroxybenzoyl)amino]phenyl]carbamate
CID 131844196
tert-butyl N-[3-[[4-(methoxycarbonylamino)phenyl]carbamoyl]phenyl]carbamate
CID 55804923
tert-butyl N-[2-[(7-methyl-1,8-naphthyridin-2-yl)amino]-2-oxoethyl]carbamate
CID 101036428
tert-butyl N-[6-[(dimethyl-λ4-sulfanylidene)amino]-2-pyridinyl]carbamate
CID 175684385
tert-butyl N-[3-(tert-butylcarbamoyl)phenyl]carbamate
CID 51204750
tert-butyl N-[6-(2-hydroxyethyl)-2-pyridinyl]carbamate
CID 22347558
ethyl 6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate
CID 19349079
[3-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamoyl]phenyl]carbamic acid
CID 18416506
3-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-6-(trifluoromethyl)-2-pyridinyl]carbamoyl]benzoic acid
CID 122517013
tert-butyl N-[6-[(dimethylamino)methyl]-2-pyridinyl]carbamate
CID 178156276
tert-butyl N-(5-chloro-6-formyl-2-pyridinyl)carbamate
CID 123779338

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[7-[[3-[[7-[(2-methylpropan-2-yl)oxycarbonylamino]-1,8-naphthyridin-2-yl]carbamoyl]benzoyl]amino]-1,8-naphthyridin-2-yl]carbamate?
The IUPAC name of tert-butyl N-[7-[[3-[[7-[(2-methylpropan-2-yl)oxycarbonylamino]-1,8-naphthyridin-2-yl]carbamoyl]benzoyl]amino]-1,8-naphthyridin-2-yl]carbamate (CID 102215304) is tert-butyl N-[7-[[3-[[7-[(2-methylpropan-2-yl)oxycarbonylamino]-1,8-naphthyridin-2-yl]carbamoyl]benzoyl]amino]-1,8-naphthyridin-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[7-[[3-[[7-[(2-methylpropan-2-yl)oxycarbonylamino]-1,8-naphthyridin-2-yl]carbamoyl]benzoyl]amino]-1,8-naphthyridin-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[7-[[3-[[7-[(2-methylpropan-2-yl)oxycarbonylamino]-1,8-naphthyridin-2-yl]carbamoyl]benzoyl]amino]-1,8-naphthyridin-2-yl]carbamate is CC(C)(C)OC(=O)Nc1ccc2ccc(NC(=O)c3cccc(C(=O)Nc4ccc5ccc(NC(=O)OC(C)(C)C)nc5n4)c3)nc2n1.
What is the InChIKey of tert-butyl N-[7-[[3-[[7-[(2-methylpropan-2-yl)oxycarbonylamino]-1,8-naphthyridin-2-yl]carbamoyl]benzoyl]amino]-1,8-naphthyridin-2-yl]carbamate?
The InChIKey is MCSQTHCAJLMUDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34N8O6/c1-33(2,3)47-31(45)41-25-16-12-19-10-14-23(35-27(19)37-25)39-29(43)21-8-7-9-22(18-21)30(44)40-24-15-11-20-13-17-26(38-28(20)36-24)42-32(46)48-34(4,5)6/h7-18H,1-6H3,(H2,35,37,39,41,43,45)(H2,36,38,40,42,44,46).
What are the key properties of tert-butyl N-[7-[[3-[[7-[(2-methylpropan-2-yl)oxycarbonylamino]-1,8-naphthyridin-2-yl]carbamoyl]benzoyl]amino]-1,8-naphthyridin-2-yl]carbamate?
tert-butyl N-[7-[[3-[[7-[(2-methylpropan-2-yl)oxycarbonylamino]-1,8-naphthyridin-2-yl]carbamoyl]benzoyl]amino]-1,8-naphthyridin-2-yl]carbamate has a molecular weight of 650.70 g/mol, XLogP of 6.77, 6 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[7-[[3-[[7-[(2-methylpropan-2-yl)oxycarbonylamino]-1,8-naphthyridin-2-yl]carbamoyl]benzoyl]amino]-1,8-naphthyridin-2-yl]carbamate is sourced from PubChem (CID 102215304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).