tert-butyl N-[6-[[5-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]carbamoyl]pyridine-2-carbonyl]amino]-2-pyridinyl]carbamate

C27H31N7O6 — CID 102215306

IUPACtert-butyl N-[6-[[5-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]carbamoyl]pyridine-2-carbonyl]amino]-2-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cccc(NC(=O)c2ccc(C(=O)Nc3cccc(NC(=O)OC(C)(C)C)n3)nc2)n1
InChIInChI=1S/C27H31N7O6/c1-26(2,3)39-24(37)33-20-11-7-9-18(29-20)31-22(35)16-13-14-17(28-15-16)23(36)32-19-10-8-12-21(30-19)34-25(38)40-27(4,5)6/h7-15H,1-6H3,(H2,29,31,33,35,37)(H2,30,32,34,36,38)
InChIKeyDFAVYFSNVVCRTP-UHFFFAOYSA-N
MW549.59 g/mol
LogP5.07
Rot. Bonds6

About tert-butyl N-[6-[[5-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]carbamoyl]pyridine-2-carbonyl]amino]-2-pyridinyl]carbamate

tert-butyl N-[6-[[5-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]carbamoyl]pyridine-2-carbonyl]amino]-2-pyridinyl]carbamate (PubChem CID 102215306) has the molecular formula C27H31N7O6 and a molecular weight of 549.59 g/mol. Its IUPAC name is tert-butyl N-[6-[[5-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]carbamoyl]pyridine-2-carbonyl]amino]-2-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[6-[[5-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]carbamoyl]pyridine-2-carbonyl]amino]-2-pyridinyl]carbamate
PubChem CID102215306
Molecular FormulaC27H31N7O6
Molecular Weight549.59 g/mol
Exact Mass549.23
IUPAC Nametert-butyl N-[6-[[5-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]carbamoyl]pyridine-2-carbonyl]amino]-2-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cccc(NC(=O)c2ccc(C(=O)Nc3cccc(NC(=O)OC(C)(C)C)n3)nc2)n1
InChIInChI=1S/C27H31N7O6/c1-26(2,3)39-24(37)33-20-11-7-9-18(29-20)31-22(35)16-13-14-17(28-15-16)23(36)32-19-10-8-12-21(30-19)34-25(38)40-27(4,5)6/h7-15H,1-6H3,(H2,29,31,33,35,37)(H2,30,32,34,36,38)
InChIKeyDFAVYFSNVVCRTP-UHFFFAOYSA-N
XLogP5.07
TPSA173.53 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.59
LogP ≤ 55.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze tert-butyl N-[6-[[5-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]carbamoyl]pyridine-2-carbonyl]amino]-2-pyridinyl]carbamate with MolForge

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Related Compounds

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
ethyl 6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate
CID 19349079
tert-butyl N-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazin-2-yl]carbamate
CID 11012344
tert-butyl N-[6-(2-hydroxyethyl)-2-pyridinyl]carbamate
CID 22347558
tert-butyl N-[6-(5-fluoro-2-pyridinyl)-2-pyridinyl]carbamate
CID 171682686
tert-butyl N-[6-[(dimethylamino)methyl]-2-pyridinyl]carbamate
CID 178156276
6-bromo-N-(6-chloro-2-pyridinyl)pyridine-3-carboxamide
CID 79946333
6-amino-N-(6-methyl-2-pyridinyl)pyridine-3-carboxamide
CID 62060328
tert-butyl N-[(6-chloropyridine-3-carbonyl)amino]carbamate
CID 16654125
tert-butyl N-[6-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-2-pyridinyl]carbamate
CID 140879192
tert-butyl N-[6-[(dimethyl-λ4-sulfanylidene)amino]-2-pyridinyl]carbamate
CID 175684385
tert-butyl N-(2-pyridin-3-ylpyrimidin-4-yl)carbamate
CID 175481967

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[6-[[5-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]carbamoyl]pyridine-2-carbonyl]amino]-2-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[6-[[5-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]carbamoyl]pyridine-2-carbonyl]amino]-2-pyridinyl]carbamate (CID 102215306) is tert-butyl N-[6-[[5-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]carbamoyl]pyridine-2-carbonyl]amino]-2-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[6-[[5-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]carbamoyl]pyridine-2-carbonyl]amino]-2-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[6-[[5-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]carbamoyl]pyridine-2-carbonyl]amino]-2-pyridinyl]carbamate is CC(C)(C)OC(=O)Nc1cccc(NC(=O)c2ccc(C(=O)Nc3cccc(NC(=O)OC(C)(C)C)n3)nc2)n1.
What is the InChIKey of tert-butyl N-[6-[[5-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]carbamoyl]pyridine-2-carbonyl]amino]-2-pyridinyl]carbamate?
The InChIKey is DFAVYFSNVVCRTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N7O6/c1-26(2,3)39-24(37)33-20-11-7-9-18(29-20)31-22(35)16-13-14-17(28-15-16)23(36)32-19-10-8-12-21(30-19)34-25(38)40-27(4,5)6/h7-15H,1-6H3,(H2,29,31,33,35,37)(H2,30,32,34,36,38).
What are the key properties of tert-butyl N-[6-[[5-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]carbamoyl]pyridine-2-carbonyl]amino]-2-pyridinyl]carbamate?
tert-butyl N-[6-[[5-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]carbamoyl]pyridine-2-carbonyl]amino]-2-pyridinyl]carbamate has a molecular weight of 549.59 g/mol, XLogP of 5.07, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[6-[[5-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]carbamoyl]pyridine-2-carbonyl]amino]-2-pyridinyl]carbamate is sourced from PubChem (CID 102215306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).