methyl N-[6-[2-(4-fluorophenyl)-2,2-bis(5-methoxy-3-pyridinyl)ethyl]-2-pyridinyl]carbamate

C27H25FN4O4 — CID 67011232

IUPACmethyl N-[6-[2-(4-fluorophenyl)-2,2-bis(5-methoxy-3-pyridinyl)ethyl]-2-pyridinyl]carbamate
SMILESCOC(=O)Nc1cccc(CC(c2ccc(F)cc2)(c2cncc(OC)c2)c2cncc(OC)c2)n1
InChIInChI=1S/C27H25FN4O4/c1-34-23-11-19(14-29-16-23)27(18-7-9-21(28)10-8-18,20-12-24(35-2)17-30-15-20)13-22-5-4-6-25(31-22)32-26(33)36-3/h4-12,14-17H,13H2,1-3H3,(H,31,32,33)
InChIKeySFFFHIDZUHQGEI-UHFFFAOYSA-N
MW488.52 g/mol
LogP4.78
Rot. Bonds8

About methyl N-[6-[2-(4-fluorophenyl)-2,2-bis(5-methoxy-3-pyridinyl)ethyl]-2-pyridinyl]carbamate

methyl N-[6-[2-(4-fluorophenyl)-2,2-bis(5-methoxy-3-pyridinyl)ethyl]-2-pyridinyl]carbamate (PubChem CID 67011232) has the molecular formula C27H25FN4O4 and a molecular weight of 488.52 g/mol. Its IUPAC name is methyl N-[6-[2-(4-fluorophenyl)-2,2-bis(5-methoxy-3-pyridinyl)ethyl]-2-pyridinyl]carbamate.

Molecular Properties

Compound Namemethyl N-[6-[2-(4-fluorophenyl)-2,2-bis(5-methoxy-3-pyridinyl)ethyl]-2-pyridinyl]carbamate
PubChem CID67011232
Molecular FormulaC27H25FN4O4
Molecular Weight488.52 g/mol
Exact Mass488.19
IUPAC Namemethyl N-[6-[2-(4-fluorophenyl)-2,2-bis(5-methoxy-3-pyridinyl)ethyl]-2-pyridinyl]carbamate
SMILESCOC(=O)Nc1cccc(CC(c2ccc(F)cc2)(c2cncc(OC)c2)c2cncc(OC)c2)n1
InChIInChI=1S/C27H25FN4O4/c1-34-23-11-19(14-29-16-23)27(18-7-9-21(28)10-8-18,20-12-24(35-2)17-30-15-20)13-22-5-4-6-25(31-22)32-26(33)36-3/h4-12,14-17H,13H2,1-3H3,(H,31,32,33)
InChIKeySFFFHIDZUHQGEI-UHFFFAOYSA-N
XLogP4.78
TPSA95.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.52
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl N-[6-[2-(6-acetamido-3-pyridinyl)-2-(6-methoxy-2-pyridinyl)-2-(4-methoxypyrimidin-2-yl)ethyl]-2-pyridinyl]carbamate
CID 67011826
1-(3-fluorophenyl)-1-(5-methoxy-3-pyridinyl)propan-1-amine
CID 114872623
3-tert-butyl-5-methoxypyridine
CID 21031507
tert-butyl N-[6-(2-hydroxyethyl)-2-pyridinyl]carbamate
CID 22347558
tert-butyl N-[6-[(dimethylamino)methyl]-2-pyridinyl]carbamate
CID 178156276
tert-butyl N-[6-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-2-pyridinyl]carbamate
CID 140879192
2,2-difluoro-2-(4-fluorophenyl)-N-(3-methoxyphenyl)acetamide
CID 48571112
2-(4-fluorophenyl)-N-(3-methoxyphenyl)-2-methylpropanamide
CID 113197444
ethyl N-(6-fluoro-2-pyridinyl)carbamate
CID 45119575
1-N,3-N,5-N-tris(6-ethyl-2-pyridinyl)benzene-1,3,5-tricarboxamide
CID 11329889
2-chloro-3-fluoro-N-(5-methoxy-3-pyridinyl)benzamide
CID 167914388
ethane;3-methoxy-5-(trifluoromethyl)pyridine
CID 176999703

Frequently Asked Questions

What is the IUPAC name of methyl N-[6-[2-(4-fluorophenyl)-2,2-bis(5-methoxy-3-pyridinyl)ethyl]-2-pyridinyl]carbamate?
The IUPAC name of methyl N-[6-[2-(4-fluorophenyl)-2,2-bis(5-methoxy-3-pyridinyl)ethyl]-2-pyridinyl]carbamate (CID 67011232) is methyl N-[6-[2-(4-fluorophenyl)-2,2-bis(5-methoxy-3-pyridinyl)ethyl]-2-pyridinyl]carbamate.
What is the SMILES notation for methyl N-[6-[2-(4-fluorophenyl)-2,2-bis(5-methoxy-3-pyridinyl)ethyl]-2-pyridinyl]carbamate?
The canonical SMILES for methyl N-[6-[2-(4-fluorophenyl)-2,2-bis(5-methoxy-3-pyridinyl)ethyl]-2-pyridinyl]carbamate is COC(=O)Nc1cccc(CC(c2ccc(F)cc2)(c2cncc(OC)c2)c2cncc(OC)c2)n1.
What is the InChIKey of methyl N-[6-[2-(4-fluorophenyl)-2,2-bis(5-methoxy-3-pyridinyl)ethyl]-2-pyridinyl]carbamate?
The InChIKey is SFFFHIDZUHQGEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25FN4O4/c1-34-23-11-19(14-29-16-23)27(18-7-9-21(28)10-8-18,20-12-24(35-2)17-30-15-20)13-22-5-4-6-25(31-22)32-26(33)36-3/h4-12,14-17H,13H2,1-3H3,(H,31,32,33).
What are the key properties of methyl N-[6-[2-(4-fluorophenyl)-2,2-bis(5-methoxy-3-pyridinyl)ethyl]-2-pyridinyl]carbamate?
methyl N-[6-[2-(4-fluorophenyl)-2,2-bis(5-methoxy-3-pyridinyl)ethyl]-2-pyridinyl]carbamate has a molecular weight of 488.52 g/mol, XLogP of 4.78, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[6-[2-(4-fluorophenyl)-2,2-bis(5-methoxy-3-pyridinyl)ethyl]-2-pyridinyl]carbamate is sourced from PubChem (CID 67011232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).