6-[[3-[3-[[6-[(3-fluorophenyl)methoxy]pyridine-3-carbonyl]amino]-2-methylbutyl]phenyl]methoxy]-N-(2-methylcyclohexyl)pyridine-3-carboxamide

C38H43FN4O4 — CID 123769814

IUPAC6-[[3-[3-[[6-[(3-fluorophenyl)methoxy]pyridine-3-carbonyl]amino]-2-methylbutyl]phenyl]methoxy]-N-(2-methylcyclohexyl)pyridine-3-carboxamide
SMILESCC(Cc1cccc(COc2ccc(C(=O)NC3CCCCC3C)cn2)c1)C(C)NC(=O)c1ccc(OCc2cccc(F)c2)nc1
InChIInChI=1S/C38H43FN4O4/c1-25-8-4-5-13-34(25)43-38(45)32-15-17-35(41-22-32)46-23-29-10-6-9-28(19-29)18-26(2)27(3)42-37(44)31-14-16-36(40-21-31)47-24-30-11-7-12-33(39)20-30/h6-7,9-12,14-17,19-22,25-27,34H,4-5,8,13,18,23-24H2,1-3H3,(H,42,44)(H,43,45)
InChIKeyQCOYUHAZLSIDOU-UHFFFAOYSA-N
MW638.78 g/mol
LogP7.08
Rot. Bonds13

About 6-[[3-[3-[[6-[(3-fluorophenyl)methoxy]pyridine-3-carbonyl]amino]-2-methylbutyl]phenyl]methoxy]-N-(2-methylcyclohexyl)pyridine-3-carboxamide

6-[[3-[3-[[6-[(3-fluorophenyl)methoxy]pyridine-3-carbonyl]amino]-2-methylbutyl]phenyl]methoxy]-N-(2-methylcyclohexyl)pyridine-3-carboxamide (PubChem CID 123769814) has the molecular formula C38H43FN4O4 and a molecular weight of 638.78 g/mol. Its IUPAC name is 6-[[3-[3-[[6-[(3-fluorophenyl)methoxy]pyridine-3-carbonyl]amino]-2-methylbutyl]phenyl]methoxy]-N-(2-methylcyclohexyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[3-[3-[[6-[(3-fluorophenyl)methoxy]pyridine-3-carbonyl]amino]-2-methylbutyl]phenyl]methoxy]-N-(2-methylcyclohexyl)pyridine-3-carboxamide
PubChem CID123769814
Molecular FormulaC38H43FN4O4
Molecular Weight638.78 g/mol
Exact Mass638.33
IUPAC Name6-[[3-[3-[[6-[(3-fluorophenyl)methoxy]pyridine-3-carbonyl]amino]-2-methylbutyl]phenyl]methoxy]-N-(2-methylcyclohexyl)pyridine-3-carboxamide
SMILESCC(Cc1cccc(COc2ccc(C(=O)NC3CCCCC3C)cn2)c1)C(C)NC(=O)c1ccc(OCc2cccc(F)c2)nc1
InChIInChI=1S/C38H43FN4O4/c1-25-8-4-5-13-34(25)43-38(45)32-15-17-35(41-22-32)46-23-29-10-6-9-28(19-29)18-26(2)27(3)42-37(44)31-14-16-36(40-21-31)47-24-30-11-7-12-33(39)20-30/h6-7,9-12,14-17,19-22,25-27,34H,4-5,8,13,18,23-24H2,1-3H3,(H,42,44)(H,43,45)
InChIKeyQCOYUHAZLSIDOU-UHFFFAOYSA-N
XLogP7.08
TPSA102.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.78
LogP ≤ 57.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-[[3-[3-[[6-[(3-fluorophenyl)methoxy]pyridine-3-carbonyl]amino]-2-methylbutyl]phenyl]methoxy]-N-(2-methylcyclohexyl)pyridine-3-carboxamide with MolForge

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Related Compounds

Ondelopran
CID 10457387
YM-244769
CID 11442117
VU0404251
CID 58368068
N-[3,3-Bis-(4-fluorophenyl)-propyl]-6-(2,2,2-trifluoro-ethoxy)-nicotinamide
CID 44475365
N-[4-[[3-[[5-(trifluoromethyl)-2-pyridyl]oxy]phenyl]methylene]cyclohexyl]-pyridine-3-carboxamide
CID 89463724
N-benzyl-6-(3,3,3-trifluoropropoxy)nicotinamide
CID 45487805
Benzyl 2-[[5-[(4-fluorophenyl)carbamoyl]-2-pyridinyl]oxy]acetate
CID 15981348
(3-Fluorophenyl)methyl 2-[[5-[(4-fluorophenyl)carbamoyl]-2-pyridinyl]oxy]acetate
CID 15981349
4-Cyclohexylbutyl 2-[[5-[(4-fluorophenyl)carbamoyl]-2-pyridinyl]oxy]acetate
CID 15981350
5-(3,5-dimethylphenyl)-N-[(4-methoxyphenyl)methyl]-2-pyridin-3-ylpyridine-3-carboxamide
CID 25060384
N-methyl-6-(4-((phenethylamino)methyl)phenoxy)nicotinamide
CID 44434940
N-ethyl-6-(4-((phenethylamino)methyl)phenoxy)nicotinamide
CID 44434941

Frequently Asked Questions

What is the IUPAC name of 6-[[3-[3-[[6-[(3-fluorophenyl)methoxy]pyridine-3-carbonyl]amino]-2-methylbutyl]phenyl]methoxy]-N-(2-methylcyclohexyl)pyridine-3-carboxamide?
The IUPAC name of 6-[[3-[3-[[6-[(3-fluorophenyl)methoxy]pyridine-3-carbonyl]amino]-2-methylbutyl]phenyl]methoxy]-N-(2-methylcyclohexyl)pyridine-3-carboxamide (CID 123769814) is 6-[[3-[3-[[6-[(3-fluorophenyl)methoxy]pyridine-3-carbonyl]amino]-2-methylbutyl]phenyl]methoxy]-N-(2-methylcyclohexyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[[3-[3-[[6-[(3-fluorophenyl)methoxy]pyridine-3-carbonyl]amino]-2-methylbutyl]phenyl]methoxy]-N-(2-methylcyclohexyl)pyridine-3-carboxamide?
The canonical SMILES for 6-[[3-[3-[[6-[(3-fluorophenyl)methoxy]pyridine-3-carbonyl]amino]-2-methylbutyl]phenyl]methoxy]-N-(2-methylcyclohexyl)pyridine-3-carboxamide is CC(Cc1cccc(COc2ccc(C(=O)NC3CCCCC3C)cn2)c1)C(C)NC(=O)c1ccc(OCc2cccc(F)c2)nc1.
What is the InChIKey of 6-[[3-[3-[[6-[(3-fluorophenyl)methoxy]pyridine-3-carbonyl]amino]-2-methylbutyl]phenyl]methoxy]-N-(2-methylcyclohexyl)pyridine-3-carboxamide?
The InChIKey is QCOYUHAZLSIDOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H43FN4O4/c1-25-8-4-5-13-34(25)43-38(45)32-15-17-35(41-22-32)46-23-29-10-6-9-28(19-29)18-26(2)27(3)42-37(44)31-14-16-36(40-21-31)47-24-30-11-7-12-33(39)20-30/h6-7,9-12,14-17,19-22,25-27,34H,4-5,8,13,18,23-24H2,1-3H3,(H,42,44)(H,43,45).
What are the key properties of 6-[[3-[3-[[6-[(3-fluorophenyl)methoxy]pyridine-3-carbonyl]amino]-2-methylbutyl]phenyl]methoxy]-N-(2-methylcyclohexyl)pyridine-3-carboxamide?
6-[[3-[3-[[6-[(3-fluorophenyl)methoxy]pyridine-3-carbonyl]amino]-2-methylbutyl]phenyl]methoxy]-N-(2-methylcyclohexyl)pyridine-3-carboxamide has a molecular weight of 638.78 g/mol, XLogP of 7.08, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-[3-[[6-[(3-fluorophenyl)methoxy]pyridine-3-carbonyl]amino]-2-methylbutyl]phenyl]methoxy]-N-(2-methylcyclohexyl)pyridine-3-carboxamide is sourced from PubChem (CID 123769814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).