N-[1-[4-[3-fluoro-5-[[5-[(3-hydroxy-3-methylbutan-2-yl)carbamoyl]-2-pyridinyl]oxymethyl]phenyl]cyclohexyl]ethyl]-6-[(3-fluorophenyl)methoxy]-4-methylpyridine-3-carboxamide

C40H46F2N4O5 — CID 123596633

IUPACN-[1-[4-[3-fluoro-5-[[5-[(3-hydroxy-3-methylbutan-2-yl)carbamoyl]-2-pyridinyl]oxymethyl]phenyl]cyclohexyl]ethyl]-6-[(3-fluorophenyl)methoxy]-4-methylpyridine-3-carboxamide
SMILESCc1cc(OCc2cccc(F)c2)ncc1C(=O)NC(C)C1CCC(c2cc(F)cc(COc3ccc(C(=O)NC(C)C(C)(C)O)cn3)c2)CC1
InChIInChI=1S/C40H46F2N4O5/c1-24-15-37(51-22-27-7-6-8-33(41)17-27)44-21-35(24)39(48)45-25(2)29-9-11-30(12-10-29)32-16-28(18-34(42)19-32)23-50-36-14-13-31(20-43-36)38(47)46-26(3)40(4,5)49/h6-8,13-21,25-26,29-30,49H,9-12,22-23H2,1-5H3,(H,45,48)(H,46,47)
InChIKeyGDURXJFCCZNJLT-UHFFFAOYSA-N
MW700.83 g/mol
LogP7.20
Rot. Bonds13

About N-[1-[4-[3-fluoro-5-[[5-[(3-hydroxy-3-methylbutan-2-yl)carbamoyl]-2-pyridinyl]oxymethyl]phenyl]cyclohexyl]ethyl]-6-[(3-fluorophenyl)methoxy]-4-methylpyridine-3-carboxamide

N-[1-[4-[3-fluoro-5-[[5-[(3-hydroxy-3-methylbutan-2-yl)carbamoyl]-2-pyridinyl]oxymethyl]phenyl]cyclohexyl]ethyl]-6-[(3-fluorophenyl)methoxy]-4-methylpyridine-3-carboxamide (PubChem CID 123596633) has the molecular formula C40H46F2N4O5 and a molecular weight of 700.83 g/mol. Its IUPAC name is N-[1-[4-[3-fluoro-5-[[5-[(3-hydroxy-3-methylbutan-2-yl)carbamoyl]-2-pyridinyl]oxymethyl]phenyl]cyclohexyl]ethyl]-6-[(3-fluorophenyl)methoxy]-4-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[4-[3-fluoro-5-[[5-[(3-hydroxy-3-methylbutan-2-yl)carbamoyl]-2-pyridinyl]oxymethyl]phenyl]cyclohexyl]ethyl]-6-[(3-fluorophenyl)methoxy]-4-methylpyridine-3-carboxamide
PubChem CID123596633
Molecular FormulaC40H46F2N4O5
Molecular Weight700.83 g/mol
Exact Mass700.34
IUPAC NameN-[1-[4-[3-fluoro-5-[[5-[(3-hydroxy-3-methylbutan-2-yl)carbamoyl]-2-pyridinyl]oxymethyl]phenyl]cyclohexyl]ethyl]-6-[(3-fluorophenyl)methoxy]-4-methylpyridine-3-carboxamide
SMILESCc1cc(OCc2cccc(F)c2)ncc1C(=O)NC(C)C1CCC(c2cc(F)cc(COc3ccc(C(=O)NC(C)C(C)(C)O)cn3)c2)CC1
InChIInChI=1S/C40H46F2N4O5/c1-24-15-37(51-22-27-7-6-8-33(41)17-27)44-21-35(24)39(48)45-25(2)29-9-11-30(12-10-29)32-16-28(18-34(42)19-32)23-50-36-14-13-31(20-43-36)38(47)46-26(3)40(4,5)49/h6-8,13-21,25-26,29-30,49H,9-12,22-23H2,1-5H3,(H,45,48)(H,46,47)
InChIKeyGDURXJFCCZNJLT-UHFFFAOYSA-N
XLogP7.20
TPSA122.67 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500700.83
LogP ≤ 57.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[1-[4-[3-fluoro-5-[[5-[(3-hydroxy-3-methylbutan-2-yl)carbamoyl]-2-pyridinyl]oxymethyl]phenyl]cyclohexyl]ethyl]-6-[(3-fluorophenyl)methoxy]-4-methylpyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CP-457677
CID 10407399
N-[3,3-Bis-(4-fluorophenyl)-propyl]-6-(2,2,2-trifluoro-ethoxy)-nicotinamide
CID 44475365
2-[3-[4-[[(3S,5R)-3,5-dimethylpiperazin-1-yl]methyl]-2-(morpholin-4-ylmethyl)phenyl]phenoxy]-5-fluoro-N-[4-[(2-hydroxy-5-methylbenzoyl)amino]cyclohexyl]pyridine-3-carboxamide
CID 59190451
N-[4-[[3-[[5-(trifluoromethyl)-2-pyridyl]oxy]phenyl]methylene]cyclohexyl]-pyridine-3-carboxamide
CID 89463724
5-fluoro-N-[4-[(2-hydroxy-6-methylbenzoyl)amino]cyclohexyl]-2-[3-[4-hydroxy-2-(morpholin-4-ylmethyl)phenyl]phenoxy]pyridine-3-carboxamide
CID 90643907
6-Cyclopropylmethoxy-5-(4-fluoro-phenyl)-N-((1R,2R)-2-hydroxy-cyclohexyl)-nicotinamide
CID 11951655
6-Cyclopropylmethoxy-N-((trans)-2-hydroxy-cyclohexyl)-5-(4-trifluoromethyl-phenyl)-nicotinamide
CID 11951656
6-Cyclopropylmethoxy-N-((trans)-2-hydroxy-cyclohexyl)-5-(4-trifluoromethoxy-phenyl)-nicotinamide
CID 11951657
N-(3,3-diphenylpropyl)-6-(2,2,2-trifluoroethoxy)nicotinamide
CID 45487797
2-(2,4-difluorophenoxy)-N-[(2R)-1-(4-methylpiperazin-1-yl)-1-oxo-3-phenylmethoxypropan-2-yl]pyridine-3-carboxamide
CID 46868943
2-(4-fluorophenoxy)-N-[(2R)-1-(4-methylpiperazin-1-yl)-1-oxo-3-phenylmethoxypropan-2-yl]pyridine-3-carboxamide
CID 46869624
N-cyclohexyl-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxamide
CID 51036707

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[3-fluoro-5-[[5-[(3-hydroxy-3-methylbutan-2-yl)carbamoyl]-2-pyridinyl]oxymethyl]phenyl]cyclohexyl]ethyl]-6-[(3-fluorophenyl)methoxy]-4-methylpyridine-3-carboxamide?
The IUPAC name of N-[1-[4-[3-fluoro-5-[[5-[(3-hydroxy-3-methylbutan-2-yl)carbamoyl]-2-pyridinyl]oxymethyl]phenyl]cyclohexyl]ethyl]-6-[(3-fluorophenyl)methoxy]-4-methylpyridine-3-carboxamide (CID 123596633) is N-[1-[4-[3-fluoro-5-[[5-[(3-hydroxy-3-methylbutan-2-yl)carbamoyl]-2-pyridinyl]oxymethyl]phenyl]cyclohexyl]ethyl]-6-[(3-fluorophenyl)methoxy]-4-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[1-[4-[3-fluoro-5-[[5-[(3-hydroxy-3-methylbutan-2-yl)carbamoyl]-2-pyridinyl]oxymethyl]phenyl]cyclohexyl]ethyl]-6-[(3-fluorophenyl)methoxy]-4-methylpyridine-3-carboxamide?
The canonical SMILES for N-[1-[4-[3-fluoro-5-[[5-[(3-hydroxy-3-methylbutan-2-yl)carbamoyl]-2-pyridinyl]oxymethyl]phenyl]cyclohexyl]ethyl]-6-[(3-fluorophenyl)methoxy]-4-methylpyridine-3-carboxamide is Cc1cc(OCc2cccc(F)c2)ncc1C(=O)NC(C)C1CCC(c2cc(F)cc(COc3ccc(C(=O)NC(C)C(C)(C)O)cn3)c2)CC1.
What is the InChIKey of N-[1-[4-[3-fluoro-5-[[5-[(3-hydroxy-3-methylbutan-2-yl)carbamoyl]-2-pyridinyl]oxymethyl]phenyl]cyclohexyl]ethyl]-6-[(3-fluorophenyl)methoxy]-4-methylpyridine-3-carboxamide?
The InChIKey is GDURXJFCCZNJLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H46F2N4O5/c1-24-15-37(51-22-27-7-6-8-33(41)17-27)44-21-35(24)39(48)45-25(2)29-9-11-30(12-10-29)32-16-28(18-34(42)19-32)23-50-36-14-13-31(20-43-36)38(47)46-26(3)40(4,5)49/h6-8,13-21,25-26,29-30,49H,9-12,22-23H2,1-5H3,(H,45,48)(H,46,47).
What are the key properties of N-[1-[4-[3-fluoro-5-[[5-[(3-hydroxy-3-methylbutan-2-yl)carbamoyl]-2-pyridinyl]oxymethyl]phenyl]cyclohexyl]ethyl]-6-[(3-fluorophenyl)methoxy]-4-methylpyridine-3-carboxamide?
N-[1-[4-[3-fluoro-5-[[5-[(3-hydroxy-3-methylbutan-2-yl)carbamoyl]-2-pyridinyl]oxymethyl]phenyl]cyclohexyl]ethyl]-6-[(3-fluorophenyl)methoxy]-4-methylpyridine-3-carboxamide has a molecular weight of 700.83 g/mol, XLogP of 7.20, 13 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[3-fluoro-5-[[5-[(3-hydroxy-3-methylbutan-2-yl)carbamoyl]-2-pyridinyl]oxymethyl]phenyl]cyclohexyl]ethyl]-6-[(3-fluorophenyl)methoxy]-4-methylpyridine-3-carboxamide is sourced from PubChem (CID 123596633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).