tert-butyl N-[5-methyl-1-[3-[[6-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]furo[3,2-b]pyridine-3-carbonyl]amino]-4-pyridinyl]piperidin-3-yl]carbamate

C30H40N6O6 — CID 123762146

IUPACtert-butyl N-[5-methyl-1-[3-[[6-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]furo[3,2-b]pyridine-3-carbonyl]amino]-4-pyridinyl]piperidin-3-yl]carbamate
SMILESCc1cnc2c(C(=O)Nc3cnccc3N3CC(C)CC(NC(=O)OC(C)(C)C)C3)c(NC(=O)OC(C)(C)C)oc2c1
InChIInChI=1S/C30H40N6O6/c1-17-12-22-24(32-13-17)23(26(40-22)35-28(39)42-30(6,7)8)25(37)34-20-14-31-10-9-21(20)36-15-18(2)11-19(16-36)33-27(38)41-29(3,4)5/h9-10,12-14,18-19H,11,15-16H2,1-8H3,(H,33,38)(H,34,37)(H,35,39)
InChIKeyXLKKOBQVRBRQDR-UHFFFAOYSA-N
MW580.69 g/mol
LogP5.87
Rot. Bonds5

About tert-butyl N-[5-methyl-1-[3-[[6-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]furo[3,2-b]pyridine-3-carbonyl]amino]-4-pyridinyl]piperidin-3-yl]carbamate

tert-butyl N-[5-methyl-1-[3-[[6-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]furo[3,2-b]pyridine-3-carbonyl]amino]-4-pyridinyl]piperidin-3-yl]carbamate (PubChem CID 123762146) has the molecular formula C30H40N6O6 and a molecular weight of 580.69 g/mol. Its IUPAC name is tert-butyl N-[5-methyl-1-[3-[[6-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]furo[3,2-b]pyridine-3-carbonyl]amino]-4-pyridinyl]piperidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-methyl-1-[3-[[6-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]furo[3,2-b]pyridine-3-carbonyl]amino]-4-pyridinyl]piperidin-3-yl]carbamate
PubChem CID123762146
Molecular FormulaC30H40N6O6
Molecular Weight580.69 g/mol
Exact Mass580.30
IUPAC Nametert-butyl N-[5-methyl-1-[3-[[6-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]furo[3,2-b]pyridine-3-carbonyl]amino]-4-pyridinyl]piperidin-3-yl]carbamate
SMILESCc1cnc2c(C(=O)Nc3cnccc3N3CC(C)CC(NC(=O)OC(C)(C)C)C3)c(NC(=O)OC(C)(C)C)oc2c1
InChIInChI=1S/C30H40N6O6/c1-17-12-22-24(32-13-17)23(26(40-22)35-28(39)42-30(6,7)8)25(37)34-20-14-31-10-9-21(20)36-15-18(2)11-19(16-36)33-27(38)41-29(3,4)5/h9-10,12-14,18-19H,11,15-16H2,1-8H3,(H,33,38)(H,34,37)(H,35,39)
InChIKeyXLKKOBQVRBRQDR-UHFFFAOYSA-N
XLogP5.87
TPSA147.92 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.69
LogP ≤ 55.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze tert-butyl N-[5-methyl-1-[3-[[6-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]furo[3,2-b]pyridine-3-carbonyl]amino]-4-pyridinyl]piperidin-3-yl]carbamate with MolForge

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Related Compounds

tert-butyl N-[1-[3-[[6-ethenyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]furo[3,2-b]pyridine-3-carbonyl]amino]-4-pyridinyl]-5-(trifluoromethyl)piperidin-3-yl]carbamate
CID 123274368
tert-butyl N-[1-(3-amino-4-pyridinyl)-5-methylpiperidin-3-yl]carbamate
CID 58386783
tert-butyl 2-[(3R,5R)-1-[3-[2-[6-ethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]furo[3,2-b]pyridin-3-yl]-2-oxoethyl]-4-pyridinyl]-5-methylpiperidin-3-yl]acetate
CID 158083336
tert-butyl N-[4-[(3R)-3-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-3-pyridinyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 144796887
tert-butyl N-[(3S,5R)-1-(3-isothiocyanato-4-pyridinyl)-5-methylpiperidin-3-yl]carbamate
CID 131734135
tert-butyl N-[1-(5-methoxypyrido[3,4-b]pyrazin-8-yl)-5-methylpiperidin-3-yl]carbamate
CID 146316866
tert-butyl N-[1-[3-[[3-(2,6-difluorophenyl)-4-fluorophenyl]methylamino]-4-pyridinyl]-5-methylpiperidin-3-yl]carbamate
CID 145199435
tert-butyl N-[4-[(3S,5R)-3,5-dimethyl-4-(methylamino)piperidin-1-yl]-3-pyridinyl]carbamate;methane
CID 158140045
tert-butyl N-[1-(8-fluoroquinoxalin-5-yl)-5-methylpiperidin-3-yl]carbamate
CID 129276893
tert-butyl N-[(3R,5S)-1-(8-methoxy-1,7-naphthyridin-5-yl)-5-methylpiperidin-3-yl]carbamate
CID 146329112
tert-butyl N-[(3R,5S)-1-(8-formylquinoxalin-5-yl)-5-methylpiperidin-3-yl]carbamate
CID 129241241
tert-butyl N-[(3R,5S)-5-methyl-1-[8-(trifluoromethyl)quinoxalin-5-yl]piperidin-3-yl]carbamate
CID 129240611

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-methyl-1-[3-[[6-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]furo[3,2-b]pyridine-3-carbonyl]amino]-4-pyridinyl]piperidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[5-methyl-1-[3-[[6-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]furo[3,2-b]pyridine-3-carbonyl]amino]-4-pyridinyl]piperidin-3-yl]carbamate (CID 123762146) is tert-butyl N-[5-methyl-1-[3-[[6-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]furo[3,2-b]pyridine-3-carbonyl]amino]-4-pyridinyl]piperidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[5-methyl-1-[3-[[6-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]furo[3,2-b]pyridine-3-carbonyl]amino]-4-pyridinyl]piperidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[5-methyl-1-[3-[[6-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]furo[3,2-b]pyridine-3-carbonyl]amino]-4-pyridinyl]piperidin-3-yl]carbamate is Cc1cnc2c(C(=O)Nc3cnccc3N3CC(C)CC(NC(=O)OC(C)(C)C)C3)c(NC(=O)OC(C)(C)C)oc2c1.
What is the InChIKey of tert-butyl N-[5-methyl-1-[3-[[6-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]furo[3,2-b]pyridine-3-carbonyl]amino]-4-pyridinyl]piperidin-3-yl]carbamate?
The InChIKey is XLKKOBQVRBRQDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H40N6O6/c1-17-12-22-24(32-13-17)23(26(40-22)35-28(39)42-30(6,7)8)25(37)34-20-14-31-10-9-21(20)36-15-18(2)11-19(16-36)33-27(38)41-29(3,4)5/h9-10,12-14,18-19H,11,15-16H2,1-8H3,(H,33,38)(H,34,37)(H,35,39).
What are the key properties of tert-butyl N-[5-methyl-1-[3-[[6-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]furo[3,2-b]pyridine-3-carbonyl]amino]-4-pyridinyl]piperidin-3-yl]carbamate?
tert-butyl N-[5-methyl-1-[3-[[6-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]furo[3,2-b]pyridine-3-carbonyl]amino]-4-pyridinyl]piperidin-3-yl]carbamate has a molecular weight of 580.69 g/mol, XLogP of 5.87, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-methyl-1-[3-[[6-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]furo[3,2-b]pyridine-3-carbonyl]amino]-4-pyridinyl]piperidin-3-yl]carbamate is sourced from PubChem (CID 123762146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).