N-[1-[4-[3-[[5-(cyclohexylcarbamoyl)-2-pyridinyl]methoxy]-5-fluorophenyl]cyclohexyl]ethyl]-6-[(4-fluorophenoxy)methyl]pyridine-3-carboxamide

C40H44F2N4O4 — CID 123169123

IUPACN-[1-[4-[3-[[5-(cyclohexylcarbamoyl)-2-pyridinyl]methoxy]-5-fluorophenyl]cyclohexyl]ethyl]-6-[(4-fluorophenoxy)methyl]pyridine-3-carboxamide
SMILESCC(NC(=O)c1ccc(COc2ccc(F)cc2)nc1)C1CCC(c2cc(F)cc(OCc3ccc(C(=O)NC4CCCCC4)cn3)c2)CC1
InChIInChI=1S/C40H44F2N4O4/c1-26(45-39(47)29-11-15-35(43-22-29)24-49-37-17-13-32(41)14-18-37)27-7-9-28(10-8-27)31-19-33(42)21-38(20-31)50-25-36-16-12-30(23-44-36)40(48)46-34-5-3-2-4-6-34/h11-23,26-28,34H,2-10,24-25H2,1H3,(H,45,47)(H,46,48)
InChIKeyOKWZGMOVFQUBFC-UHFFFAOYSA-N
MW682.81 g/mol
LogP8.07
Rot. Bonds12

About N-[1-[4-[3-[[5-(cyclohexylcarbamoyl)-2-pyridinyl]methoxy]-5-fluorophenyl]cyclohexyl]ethyl]-6-[(4-fluorophenoxy)methyl]pyridine-3-carboxamide

N-[1-[4-[3-[[5-(cyclohexylcarbamoyl)-2-pyridinyl]methoxy]-5-fluorophenyl]cyclohexyl]ethyl]-6-[(4-fluorophenoxy)methyl]pyridine-3-carboxamide (PubChem CID 123169123) has the molecular formula C40H44F2N4O4 and a molecular weight of 682.81 g/mol. Its IUPAC name is N-[1-[4-[3-[[5-(cyclohexylcarbamoyl)-2-pyridinyl]methoxy]-5-fluorophenyl]cyclohexyl]ethyl]-6-[(4-fluorophenoxy)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[4-[3-[[5-(cyclohexylcarbamoyl)-2-pyridinyl]methoxy]-5-fluorophenyl]cyclohexyl]ethyl]-6-[(4-fluorophenoxy)methyl]pyridine-3-carboxamide
PubChem CID123169123
Molecular FormulaC40H44F2N4O4
Molecular Weight682.81 g/mol
Exact Mass682.33
IUPAC NameN-[1-[4-[3-[[5-(cyclohexylcarbamoyl)-2-pyridinyl]methoxy]-5-fluorophenyl]cyclohexyl]ethyl]-6-[(4-fluorophenoxy)methyl]pyridine-3-carboxamide
SMILESCC(NC(=O)c1ccc(COc2ccc(F)cc2)nc1)C1CCC(c2cc(F)cc(OCc3ccc(C(=O)NC4CCCCC4)cn3)c2)CC1
InChIInChI=1S/C40H44F2N4O4/c1-26(45-39(47)29-11-15-35(43-22-29)24-49-37-17-13-32(41)14-18-37)27-7-9-28(10-8-27)31-19-33(42)21-38(20-31)50-25-36-16-12-30(23-44-36)40(48)46-34-5-3-2-4-6-34/h11-23,26-28,34H,2-10,24-25H2,1H3,(H,45,47)(H,46,48)
InChIKeyOKWZGMOVFQUBFC-UHFFFAOYSA-N
XLogP8.07
TPSA102.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500682.81
LogP ≤ 58.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[1-[4-[3-[[5-(cyclohexylcarbamoyl)-2-pyridinyl]methoxy]-5-fluorophenyl]cyclohexyl]ethyl]-6-[(4-fluorophenoxy)methyl]pyridine-3-carboxamide with MolForge

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Related Compounds

Azd-3161
CID 56945146
4-fluoro-3-[2-(4-methylphenyl)ethoxy]-N-{[1-(pyridin-4-yl)piperidin-4-yl]methyl}benzamide
CID 23396292
6-(3-methoxyphenyl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxamide
CID 59743926
5-fluoro-2-[3-[4-hydroxy-2-(1,4-oxazepan-4-ylmethyl)phenyl]phenoxy]-N-[4-[(6-methylpyridine-2-carbonyl)amino]cyclohexyl]pyridine-3-carboxamide
CID 59190515
5-fluoro-2-[3-[4-hydroxy-2-(morpholin-4-ylmethyl)phenyl]phenoxy]-N-[4-[(3-hydroxypyridine-2-carbonyl)amino]cyclohexyl]pyridine-3-carboxamide
CID 59190556
N-[4-[[3-[[5-(trifluoromethyl)-2-pyridyl]oxy]phenyl]methylene]cyclohexyl]-pyridine-3-carboxamide
CID 89463724
6-(2-fluoranylpyridin-4-yl)-~{N}-[(1~{R})-1-(3-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 168276974
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
2-[3-[4-[[(3R,5S)-3,5-dimethylpiperazin-1-yl]methyl]phenyl]phenoxy]-5-fluoro-N-[4-[(3-hydroxypyridine-2-carbonyl)amino]cyclohexyl]pyridine-3-carboxamide
CID 90643915
N-benzyl-2-[5-[4-[2-[4-[(1S,2S)-2-fluorocyclopropanecarbonyl]piperazin-1-yl]ethoxy]phenyl]-2-pyridinyl]acetamide
CID 166635524
N-[(3-fluorophenyl)methyl]-2-[5-[4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]acetamide
CID 11496101
5-(3,5-dimethylphenyl)-N-[(3-methoxyphenyl)methyl]-2-pyridin-3-ylpyridine-3-carboxamide
CID 25060382

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[3-[[5-(cyclohexylcarbamoyl)-2-pyridinyl]methoxy]-5-fluorophenyl]cyclohexyl]ethyl]-6-[(4-fluorophenoxy)methyl]pyridine-3-carboxamide?
The IUPAC name of N-[1-[4-[3-[[5-(cyclohexylcarbamoyl)-2-pyridinyl]methoxy]-5-fluorophenyl]cyclohexyl]ethyl]-6-[(4-fluorophenoxy)methyl]pyridine-3-carboxamide (CID 123169123) is N-[1-[4-[3-[[5-(cyclohexylcarbamoyl)-2-pyridinyl]methoxy]-5-fluorophenyl]cyclohexyl]ethyl]-6-[(4-fluorophenoxy)methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[1-[4-[3-[[5-(cyclohexylcarbamoyl)-2-pyridinyl]methoxy]-5-fluorophenyl]cyclohexyl]ethyl]-6-[(4-fluorophenoxy)methyl]pyridine-3-carboxamide?
The canonical SMILES for N-[1-[4-[3-[[5-(cyclohexylcarbamoyl)-2-pyridinyl]methoxy]-5-fluorophenyl]cyclohexyl]ethyl]-6-[(4-fluorophenoxy)methyl]pyridine-3-carboxamide is CC(NC(=O)c1ccc(COc2ccc(F)cc2)nc1)C1CCC(c2cc(F)cc(OCc3ccc(C(=O)NC4CCCCC4)cn3)c2)CC1.
What is the InChIKey of N-[1-[4-[3-[[5-(cyclohexylcarbamoyl)-2-pyridinyl]methoxy]-5-fluorophenyl]cyclohexyl]ethyl]-6-[(4-fluorophenoxy)methyl]pyridine-3-carboxamide?
The InChIKey is OKWZGMOVFQUBFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H44F2N4O4/c1-26(45-39(47)29-11-15-35(43-22-29)24-49-37-17-13-32(41)14-18-37)27-7-9-28(10-8-27)31-19-33(42)21-38(20-31)50-25-36-16-12-30(23-44-36)40(48)46-34-5-3-2-4-6-34/h11-23,26-28,34H,2-10,24-25H2,1H3,(H,45,47)(H,46,48).
What are the key properties of N-[1-[4-[3-[[5-(cyclohexylcarbamoyl)-2-pyridinyl]methoxy]-5-fluorophenyl]cyclohexyl]ethyl]-6-[(4-fluorophenoxy)methyl]pyridine-3-carboxamide?
N-[1-[4-[3-[[5-(cyclohexylcarbamoyl)-2-pyridinyl]methoxy]-5-fluorophenyl]cyclohexyl]ethyl]-6-[(4-fluorophenoxy)methyl]pyridine-3-carboxamide has a molecular weight of 682.81 g/mol, XLogP of 8.07, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[3-[[5-(cyclohexylcarbamoyl)-2-pyridinyl]methoxy]-5-fluorophenyl]cyclohexyl]ethyl]-6-[(4-fluorophenoxy)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 123169123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).