tert-butyl N-[5-[2,6-bis(phenylmethoxy)-3-pyridinyl]-2-pyridinyl]carbamate

C29H29N3O4 — CID 166552767

IUPACtert-butyl N-[5-[2,6-bis(phenylmethoxy)-3-pyridinyl]-2-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(-c2ccc(OCc3ccccc3)nc2OCc2ccccc2)cn1
InChIInChI=1S/C29H29N3O4/c1-29(2,3)36-28(33)31-25-16-14-23(18-30-25)24-15-17-26(34-19-21-10-6-4-7-11-21)32-27(24)35-20-22-12-8-5-9-13-22/h4-18H,19-20H2,1-3H3,(H,30,31,33)
InChIKeyGBGCJYIHSCHPEK-UHFFFAOYSA-N
MW483.57 g/mol
LogP6.65
Rot. Bonds8

About tert-butyl N-[5-[2,6-bis(phenylmethoxy)-3-pyridinyl]-2-pyridinyl]carbamate

tert-butyl N-[5-[2,6-bis(phenylmethoxy)-3-pyridinyl]-2-pyridinyl]carbamate (PubChem CID 166552767) has the molecular formula C29H29N3O4 and a molecular weight of 483.57 g/mol. Its IUPAC name is tert-butyl N-[5-[2,6-bis(phenylmethoxy)-3-pyridinyl]-2-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-[2,6-bis(phenylmethoxy)-3-pyridinyl]-2-pyridinyl]carbamate
PubChem CID166552767
Molecular FormulaC29H29N3O4
Molecular Weight483.57 g/mol
Exact Mass483.22
IUPAC Nametert-butyl N-[5-[2,6-bis(phenylmethoxy)-3-pyridinyl]-2-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(-c2ccc(OCc3ccccc3)nc2OCc2ccccc2)cn1
InChIInChI=1S/C29H29N3O4/c1-29(2,3)36-28(33)31-25-16-14-23(18-30-25)24-15-17-26(34-19-21-10-6-4-7-11-21)32-27(24)35-20-22-12-8-5-9-13-22/h4-18H,19-20H2,1-3H3,(H,30,31,33)
InChIKeyGBGCJYIHSCHPEK-UHFFFAOYSA-N
XLogP6.65
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.57
LogP ≤ 56.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl N-[1-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]phenyl]piperidin-4-yl]carbamate
CID 171431395
tert-butyl 6-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]phenyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate;ethane
CID 170979767
tert-butyl 2-[3-[2,6-bis(phenylmethoxy)-3-pyridinyl]phenoxy]acetate
CID 167478711
4-[2,6-bis(phenylmethoxy)-3-pyridinyl]-2-fluorobenzoic acid
CID 175422727
tert-butyl N-[5-(2-methylsulfonylphenyl)-2-pyridinyl]carbamate
CID 18549242
tert-butyl 4-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]-2-fluorophenyl]piperazine-1-carboxylate
CID 166168823
tert-butyl N-[4-[2-[1-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]phenyl]piperidin-4-yl]ethylamino]cyclohexyl]carbamate
CID 178015431
tert-butyl 4-[3-[2,6-bis(phenylmethoxy)-3-pyridinyl]phenyl]piperazine-1-carboxylate
CID 167463630
tert-butyl 4-[3-[2,6-bis(phenylmethoxy)-3-pyridinyl]-8-methylquinolin-6-yl]-4-hydroxypiperidine-1-carboxylate
CID 177016404
3-(4-bromophenyl)-2,6-bis(phenylmethoxy)pyridine
CID 163203487
tert-butyl 4-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]-2-fluorophenyl]-3,3-difluoropiperidine-1-carboxylate
CID 166169038
tert-butyl 3-[1-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]phenyl]piperidin-4-yl]oxyazetidine-1-carboxylate;ethane
CID 177361987

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-[2,6-bis(phenylmethoxy)-3-pyridinyl]-2-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[5-[2,6-bis(phenylmethoxy)-3-pyridinyl]-2-pyridinyl]carbamate (CID 166552767) is tert-butyl N-[5-[2,6-bis(phenylmethoxy)-3-pyridinyl]-2-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[5-[2,6-bis(phenylmethoxy)-3-pyridinyl]-2-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[5-[2,6-bis(phenylmethoxy)-3-pyridinyl]-2-pyridinyl]carbamate is CC(C)(C)OC(=O)Nc1ccc(-c2ccc(OCc3ccccc3)nc2OCc2ccccc2)cn1.
What is the InChIKey of tert-butyl N-[5-[2,6-bis(phenylmethoxy)-3-pyridinyl]-2-pyridinyl]carbamate?
The InChIKey is GBGCJYIHSCHPEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N3O4/c1-29(2,3)36-28(33)31-25-16-14-23(18-30-25)24-15-17-26(34-19-21-10-6-4-7-11-21)32-27(24)35-20-22-12-8-5-9-13-22/h4-18H,19-20H2,1-3H3,(H,30,31,33).
What are the key properties of tert-butyl N-[5-[2,6-bis(phenylmethoxy)-3-pyridinyl]-2-pyridinyl]carbamate?
tert-butyl N-[5-[2,6-bis(phenylmethoxy)-3-pyridinyl]-2-pyridinyl]carbamate has a molecular weight of 483.57 g/mol, XLogP of 6.65, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-[2,6-bis(phenylmethoxy)-3-pyridinyl]-2-pyridinyl]carbamate is sourced from PubChem (CID 166552767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).