(2-oxo-2-pyrrolidin-1-ylethyl) N-[5-tert-butyl-2-methoxy-3-[[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]carbamoylamino]phenyl]carbamate

C39H46N6O6 — CID 20729486

IUPAC(2-oxo-2-pyrrolidin-1-ylethyl) N-[5-tert-butyl-2-methoxy-3-[[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]carbamoylamino]phenyl]carbamate
SMILESCOc1c(NC(=O)Nc2ccc(-c3ccc(CN4CCOCC4)nc3)c3ccccc23)cc(C(C)(C)C)cc1NC(=O)OCC(=O)N1CCCC1
InChIInChI=1S/C39H46N6O6/c1-39(2,3)27-21-33(36(49-4)34(22-27)43-38(48)51-25-35(46)45-15-7-8-16-45)42-37(47)41-32-14-13-29(30-9-5-6-10-31(30)32)26-11-12-28(40-23-26)24-44-17-19-50-20-18-44/h5-6,9-14,21-23H,7-8,15-20,24-25H2,1-4H3,(H,43,48)(H2,41,42,47)
InChIKeyUMTVGLIQCNAGST-UHFFFAOYSA-N
MW694.83 g/mol
LogP6.86
Rot. Bonds9

About (2-oxo-2-pyrrolidin-1-ylethyl) N-[5-tert-butyl-2-methoxy-3-[[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]carbamoylamino]phenyl]carbamate

(2-oxo-2-pyrrolidin-1-ylethyl) N-[5-tert-butyl-2-methoxy-3-[[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]carbamoylamino]phenyl]carbamate (PubChem CID 20729486) has the molecular formula C39H46N6O6 and a molecular weight of 694.83 g/mol. Its IUPAC name is (2-oxo-2-pyrrolidin-1-ylethyl) N-[5-tert-butyl-2-methoxy-3-[[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]carbamoylamino]phenyl]carbamate.

Molecular Properties

Compound Name(2-oxo-2-pyrrolidin-1-ylethyl) N-[5-tert-butyl-2-methoxy-3-[[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]carbamoylamino]phenyl]carbamate
PubChem CID20729486
Molecular FormulaC39H46N6O6
Molecular Weight694.83 g/mol
Exact Mass694.35
IUPAC Name(2-oxo-2-pyrrolidin-1-ylethyl) N-[5-tert-butyl-2-methoxy-3-[[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]carbamoylamino]phenyl]carbamate
SMILESCOc1c(NC(=O)Nc2ccc(-c3ccc(CN4CCOCC4)nc3)c3ccccc23)cc(C(C)(C)C)cc1NC(=O)OCC(=O)N1CCCC1
InChIInChI=1S/C39H46N6O6/c1-39(2,3)27-21-33(36(49-4)34(22-27)43-38(48)51-25-35(46)45-15-7-8-16-45)42-37(47)41-32-14-13-29(30-9-5-6-10-31(30)32)26-11-12-28(40-23-26)24-44-17-19-50-20-18-44/h5-6,9-14,21-23H,7-8,15-20,24-25H2,1-4H3,(H,43,48)(H2,41,42,47)
InChIKeyUMTVGLIQCNAGST-UHFFFAOYSA-N
XLogP6.86
TPSA134.36 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500694.83
LogP ≤ 56.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze (2-oxo-2-pyrrolidin-1-ylethyl) N-[5-tert-butyl-2-methoxy-3-[[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]carbamoylamino]phenyl]carbamate with MolForge

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Related Compounds

1,3-oxazol-5-ylmethyl N-[5-tert-butyl-2-methoxy-3-[[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]carbamoylamino]phenyl]carbamate
CID 20729508
[5-tert-butyl-2-methoxy-3-[[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]carbamoylamino]phenyl] methyl carbonate
CID 10188874
1-[5-tert-butyl-2-methoxy-3-[[2-(methylamino)-3,4-dioxocyclobuten-1-yl]amino]phenyl]-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea
CID 23003115
methyl 2-[5-tert-butyl-2-methoxy-3-[[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]carbamoylamino]phenyl]acetate
CID 10188833
N-[5-tert-butyl-2-methoxy-3-[[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]carbamoylamino]phenyl]-N-methylsulfonylcyclopropanecarboxamide
CID 10305399
1-[2-(4-tert-butylphenyl)phenyl]-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea
CID 10312064
1-[3-[(5-bromothiophen-2-yl)sulfonylamino]-5-tert-butyl-2-methoxyphenyl]-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea
CID 10123228
1-[5-tert-butyl-3-(3-hydroxyprop-1-ynyl)-2-methylphenyl]-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea
CID 22218048
pyridin-3-ylmethyl N-[5-tert-butyl-2-methoxy-3-[[4-[5-(morpholin-4-ylmethyl)pyrazin-2-yl]naphthalen-1-yl]carbamoylamino]phenyl]carbamate
CID 20729489
1-[5-tert-butyl-3-[cyclobuten-1-yl-(3,4-dihydroxypyrrol-1-yl)amino]-2-methoxyphenyl]-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea
CID 91318027
N-[3-[[amino-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]carbamoyl]amino]-5-tert-butyl-2-methoxyphenyl]acetamide
CID 142862713
4-methoxy-3-[[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]carbamoylamino]benzoic acid
CID 22217980

Frequently Asked Questions

What is the IUPAC name of (2-oxo-2-pyrrolidin-1-ylethyl) N-[5-tert-butyl-2-methoxy-3-[[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]carbamoylamino]phenyl]carbamate?
The IUPAC name of (2-oxo-2-pyrrolidin-1-ylethyl) N-[5-tert-butyl-2-methoxy-3-[[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]carbamoylamino]phenyl]carbamate (CID 20729486) is (2-oxo-2-pyrrolidin-1-ylethyl) N-[5-tert-butyl-2-methoxy-3-[[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]carbamoylamino]phenyl]carbamate.
What is the SMILES notation for (2-oxo-2-pyrrolidin-1-ylethyl) N-[5-tert-butyl-2-methoxy-3-[[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]carbamoylamino]phenyl]carbamate?
The canonical SMILES for (2-oxo-2-pyrrolidin-1-ylethyl) N-[5-tert-butyl-2-methoxy-3-[[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]carbamoylamino]phenyl]carbamate is COc1c(NC(=O)Nc2ccc(-c3ccc(CN4CCOCC4)nc3)c3ccccc23)cc(C(C)(C)C)cc1NC(=O)OCC(=O)N1CCCC1.
What is the InChIKey of (2-oxo-2-pyrrolidin-1-ylethyl) N-[5-tert-butyl-2-methoxy-3-[[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]carbamoylamino]phenyl]carbamate?
The InChIKey is UMTVGLIQCNAGST-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H46N6O6/c1-39(2,3)27-21-33(36(49-4)34(22-27)43-38(48)51-25-35(46)45-15-7-8-16-45)42-37(47)41-32-14-13-29(30-9-5-6-10-31(30)32)26-11-12-28(40-23-26)24-44-17-19-50-20-18-44/h5-6,9-14,21-23H,7-8,15-20,24-25H2,1-4H3,(H,43,48)(H2,41,42,47).
What are the key properties of (2-oxo-2-pyrrolidin-1-ylethyl) N-[5-tert-butyl-2-methoxy-3-[[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]carbamoylamino]phenyl]carbamate?
(2-oxo-2-pyrrolidin-1-ylethyl) N-[5-tert-butyl-2-methoxy-3-[[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]carbamoylamino]phenyl]carbamate has a molecular weight of 694.83 g/mol, XLogP of 6.86, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-2-pyrrolidin-1-ylethyl) N-[5-tert-butyl-2-methoxy-3-[[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]carbamoylamino]phenyl]carbamate is sourced from PubChem (CID 20729486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).