tert-butyl N-[(2S)-1-[(2-acetamido-7-methyl-5H-chromeno[3,4-c]pyridin-8-yl)oxy]-4-methylpentan-2-yl]carbamate

C26H35N3O5 — CID 86724451

IUPACtert-butyl N-[(2S)-1-[(2-acetamido-7-methyl-5H-chromeno[3,4-c]pyridin-8-yl)oxy]-4-methylpentan-2-yl]carbamate
SMILESCC(=O)Nc1cc2c(cn1)COc1c-2ccc(OC[C@H](CC(C)C)NC(=O)OC(C)(C)C)c1C
InChIInChI=1S/C26H35N3O5/c1-15(2)10-19(29-25(31)34-26(5,6)7)14-32-22-9-8-20-21-11-23(28-17(4)30)27-12-18(21)13-33-24(20)16(22)3/h8-9,11-12,15,19H,10,13-14H2,1-7H3,(H,29,31)(H,27,28,30)/t19-/m0/s1
InChIKeyKTQMCWYZSLYGLS-IBGZPJMESA-N
MW469.58 g/mol
LogP5.23
Rot. Bonds7

About tert-butyl N-[(2S)-1-[(2-acetamido-7-methyl-5H-chromeno[3,4-c]pyridin-8-yl)oxy]-4-methylpentan-2-yl]carbamate

tert-butyl N-[(2S)-1-[(2-acetamido-7-methyl-5H-chromeno[3,4-c]pyridin-8-yl)oxy]-4-methylpentan-2-yl]carbamate (PubChem CID 86724451) has the molecular formula C26H35N3O5 and a molecular weight of 469.58 g/mol. Its IUPAC name is tert-butyl N-[(2S)-1-[(2-acetamido-7-methyl-5H-chromeno[3,4-c]pyridin-8-yl)oxy]-4-methylpentan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-1-[(2-acetamido-7-methyl-5H-chromeno[3,4-c]pyridin-8-yl)oxy]-4-methylpentan-2-yl]carbamate
PubChem CID86724451
Molecular FormulaC26H35N3O5
Molecular Weight469.58 g/mol
Exact Mass469.26
IUPAC Nametert-butyl N-[(2S)-1-[(2-acetamido-7-methyl-5H-chromeno[3,4-c]pyridin-8-yl)oxy]-4-methylpentan-2-yl]carbamate
SMILESCC(=O)Nc1cc2c(cn1)COc1c-2ccc(OC[C@H](CC(C)C)NC(=O)OC(C)(C)C)c1C
InChIInChI=1S/C26H35N3O5/c1-15(2)10-19(29-25(31)34-26(5,6)7)14-32-22-9-8-20-21-11-23(28-17(4)30)27-12-18(21)13-33-24(20)16(22)3/h8-9,11-12,15,19H,10,13-14H2,1-7H3,(H,29,31)(H,27,28,30)/t19-/m0/s1
InChIKeyKTQMCWYZSLYGLS-IBGZPJMESA-N
XLogP5.23
TPSA98.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.58
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl N-[(2S)-1-(2-acetamido-6-methyl-5-oxobenzo[c][2,7]naphthyridin-8-yl)oxy-4-methylpentan-2-yl]carbamate
CID 86710350
8-[(2S)-2-amino-4-methylpentoxy]-5H-chromeno[3,4-c]pyridine-9-carbonitrile;tert-butyl N-[(2S)-1-[(9-cyano-5H-chromeno[3,4-c]pyridin-8-yl)oxy]-4-methylpentan-2-yl]carbamate
CID 157242930
tert-butyl N-[1-[4-bromo-2-(1,2-oxazol-5-yl)phenoxy]-4-methylpentan-2-yl]carbamate
CID 123459257
tert-butyl N-[(2S)-4-methyl-1-[4-(2-methyl-4-pyridinyl)-2-(1,2-oxazol-5-yl)phenoxy]pentan-2-yl]carbamate
CID 118429657
tert-butyl N-[1-[2-[(dimethylamino)methyl]-4-[2-(methoxycarbonylamino)-4-pyridinyl]phenoxy]-4-methylpentan-2-yl]carbamate
CID 123905795
tert-butyl N-[(2S)-1-[2-cyano-4-(6-methylpyridazin-4-yl)phenoxy]-4-methylpentan-2-yl]carbamate
CID 118429632
N-[8-[(2,4-dimethylazetidin-2-yl)methoxy]-7-methoxy-5H-chromeno[3,4-c]pyridin-2-yl]acetamide
CID 130389317
tert-butyl N-[(2S)-1-[4-(2-amino-4-pyridinyl)-2-fluorophenoxy]-4-methylpentan-2-yl]carbamate
CID 140845652
methyl N-[8-[2,4-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentoxy]-6H-isochromeno[3,4-c]pyridin-2-yl]carbamate
CID 134530901
tert-butyl N-[(2S)-1-[9-(fluoromethoxy)-4,6-dimethyl-5-oxobenzo[c][2,7]naphthyridin-8-yl]oxy-4-methylpentan-2-yl]carbamate
CID 90069420
tert-butyl N-[(2S)-4-methyl-1-(5-methyl-1,2-oxazol-3-yl)pentan-2-yl]carbamate
CID 170534884
tert-butyl N-[4-methyl-1-(4,6,9-trimethyl-5-oxobenzo[c][2,7]naphthyridin-8-yl)oxypentan-2-yl]carbamate
CID 123468016

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-1-[(2-acetamido-7-methyl-5H-chromeno[3,4-c]pyridin-8-yl)oxy]-4-methylpentan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-1-[(2-acetamido-7-methyl-5H-chromeno[3,4-c]pyridin-8-yl)oxy]-4-methylpentan-2-yl]carbamate (CID 86724451) is tert-butyl N-[(2S)-1-[(2-acetamido-7-methyl-5H-chromeno[3,4-c]pyridin-8-yl)oxy]-4-methylpentan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-1-[(2-acetamido-7-methyl-5H-chromeno[3,4-c]pyridin-8-yl)oxy]-4-methylpentan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-1-[(2-acetamido-7-methyl-5H-chromeno[3,4-c]pyridin-8-yl)oxy]-4-methylpentan-2-yl]carbamate is CC(=O)Nc1cc2c(cn1)COc1c-2ccc(OC[C@H](CC(C)C)NC(=O)OC(C)(C)C)c1C.
What is the InChIKey of tert-butyl N-[(2S)-1-[(2-acetamido-7-methyl-5H-chromeno[3,4-c]pyridin-8-yl)oxy]-4-methylpentan-2-yl]carbamate?
The InChIKey is KTQMCWYZSLYGLS-IBGZPJMESA-N. The full InChI is InChI=1S/C26H35N3O5/c1-15(2)10-19(29-25(31)34-26(5,6)7)14-32-22-9-8-20-21-11-23(28-17(4)30)27-12-18(21)13-33-24(20)16(22)3/h8-9,11-12,15,19H,10,13-14H2,1-7H3,(H,29,31)(H,27,28,30)/t19-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-1-[(2-acetamido-7-methyl-5H-chromeno[3,4-c]pyridin-8-yl)oxy]-4-methylpentan-2-yl]carbamate?
tert-butyl N-[(2S)-1-[(2-acetamido-7-methyl-5H-chromeno[3,4-c]pyridin-8-yl)oxy]-4-methylpentan-2-yl]carbamate has a molecular weight of 469.58 g/mol, XLogP of 5.23, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-1-[(2-acetamido-7-methyl-5H-chromeno[3,4-c]pyridin-8-yl)oxy]-4-methylpentan-2-yl]carbamate is sourced from PubChem (CID 86724451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).