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

C39H43FN4O5 — CID 123804402

IUPACN-[1-[4-[3-[[5-(cyclobutylcarbamoyl)-2-pyridinyl]methoxy]-5-fluorophenyl]cyclohexyl]ethyl]-6-[(2-methoxyphenoxy)methyl]pyridine-3-carboxamide
SMILESCOc1ccccc1OCc1ccc(C(=O)NC(C)C2CCC(c3cc(F)cc(OCc4ccc(C(=O)NC5CCC5)cn4)c3)CC2)cn1
InChIInChI=1S/C39H43FN4O5/c1-25(43-38(45)28-14-17-34(42-21-28)24-49-37-9-4-3-8-36(37)47-2)26-10-12-27(13-11-26)30-18-31(40)20-35(19-30)48-23-33-16-15-29(22-41-33)39(46)44-32-6-5-7-32/h3-4,8-9,14-22,25-27,32H,5-7,10-13,23-24H2,1-2H3,(H,43,45)(H,44,46)
InChIKeyQQVAGFBVBJQYPE-UHFFFAOYSA-N
MW666.79 g/mol
LogP7.16
Rot. Bonds13

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

N-[1-[4-[3-[[5-(cyclobutylcarbamoyl)-2-pyridinyl]methoxy]-5-fluorophenyl]cyclohexyl]ethyl]-6-[(2-methoxyphenoxy)methyl]pyridine-3-carboxamide (PubChem CID 123804402) has the molecular formula C39H43FN4O5 and a molecular weight of 666.79 g/mol. Its IUPAC name is N-[1-[4-[3-[[5-(cyclobutylcarbamoyl)-2-pyridinyl]methoxy]-5-fluorophenyl]cyclohexyl]ethyl]-6-[(2-methoxyphenoxy)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[4-[3-[[5-(cyclobutylcarbamoyl)-2-pyridinyl]methoxy]-5-fluorophenyl]cyclohexyl]ethyl]-6-[(2-methoxyphenoxy)methyl]pyridine-3-carboxamide
PubChem CID123804402
Molecular FormulaC39H43FN4O5
Molecular Weight666.79 g/mol
Exact Mass666.32
IUPAC NameN-[1-[4-[3-[[5-(cyclobutylcarbamoyl)-2-pyridinyl]methoxy]-5-fluorophenyl]cyclohexyl]ethyl]-6-[(2-methoxyphenoxy)methyl]pyridine-3-carboxamide
SMILESCOc1ccccc1OCc1ccc(C(=O)NC(C)C2CCC(c3cc(F)cc(OCc4ccc(C(=O)NC5CCC5)cn4)c3)CC2)cn1
InChIInChI=1S/C39H43FN4O5/c1-25(43-38(45)28-14-17-34(42-21-28)24-49-37-9-4-3-8-36(37)47-2)26-10-12-27(13-11-26)30-18-31(40)20-35(19-30)48-23-33-16-15-29(22-41-33)39(46)44-32-6-5-7-32/h3-4,8-9,14-22,25-27,32H,5-7,10-13,23-24H2,1-2H3,(H,43,45)(H,44,46)
InChIKeyQQVAGFBVBJQYPE-UHFFFAOYSA-N
XLogP7.16
TPSA111.67 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.79
LogP ≤ 57.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3,4-dimethoxybenzyl)-5-(3,5-dimethylphenyl)-2,3'-bipyridine-3-carboxamide
CID 24896566
N-[(3,4-dimethoxyphenyl)methyl]-5-(3-fluoro-5-methylphenyl)-2-pyridin-3-ylpyridine-3-carboxamide
CID 25060899
6-(2-fluoranylpyridin-4-yl)-~{N}-[(1~{R})-1-(3-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 168276974
N-[2-[[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]carbamoyl]-4-fluorophenyl]quinoline-3-carboxamide
CID 15511441
N-[2-[[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]carbamoyl]-5-fluorophenyl]quinoline-3-carboxamide
CID 15511442
5-(3,5-difluorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-2-pyridin-3-ylpyridine-3-carboxamide
CID 25060900
5-[[3-[(3-Fluoro-4-pyridin-3-ylbenzoyl)amino]phenyl]methoxy]pyridine-3-carboxamide
CID 124155918
5-[[3-[(3-Fluoro-4-pyridin-4-ylbenzoyl)amino]phenyl]methoxy]pyridine-3-carboxamide
CID 124156888
(6-(3-(Benzyloxy)phenyl) pyridin-3-yl)(4-(4-fluorobenzyl)piperazin-1-yl)methanone
CID 56653045
5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-N-[4-[(4-methoxyphenyl)methyl]cyclohexyl]pyridine-2-carboxamide
CID 58073262
N-[(2R)-1-[[(2S)-1-[[4-(aminomethyl)phenyl]methylamino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(4-ethoxyphenyl)-1-oxopropan-2-yl]-6-methylpyridine-3-carboxamide
CID 71185969
6-Methyl-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridyl]oxy]phenyl]-methylene]cyclohexyl]pyridine-3-carboxamide
CID 89463232

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[3-[[5-(cyclobutylcarbamoyl)-2-pyridinyl]methoxy]-5-fluorophenyl]cyclohexyl]ethyl]-6-[(2-methoxyphenoxy)methyl]pyridine-3-carboxamide?
The IUPAC name of N-[1-[4-[3-[[5-(cyclobutylcarbamoyl)-2-pyridinyl]methoxy]-5-fluorophenyl]cyclohexyl]ethyl]-6-[(2-methoxyphenoxy)methyl]pyridine-3-carboxamide (CID 123804402) is N-[1-[4-[3-[[5-(cyclobutylcarbamoyl)-2-pyridinyl]methoxy]-5-fluorophenyl]cyclohexyl]ethyl]-6-[(2-methoxyphenoxy)methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[1-[4-[3-[[5-(cyclobutylcarbamoyl)-2-pyridinyl]methoxy]-5-fluorophenyl]cyclohexyl]ethyl]-6-[(2-methoxyphenoxy)methyl]pyridine-3-carboxamide?
The canonical SMILES for N-[1-[4-[3-[[5-(cyclobutylcarbamoyl)-2-pyridinyl]methoxy]-5-fluorophenyl]cyclohexyl]ethyl]-6-[(2-methoxyphenoxy)methyl]pyridine-3-carboxamide is COc1ccccc1OCc1ccc(C(=O)NC(C)C2CCC(c3cc(F)cc(OCc4ccc(C(=O)NC5CCC5)cn4)c3)CC2)cn1.
What is the InChIKey of N-[1-[4-[3-[[5-(cyclobutylcarbamoyl)-2-pyridinyl]methoxy]-5-fluorophenyl]cyclohexyl]ethyl]-6-[(2-methoxyphenoxy)methyl]pyridine-3-carboxamide?
The InChIKey is QQVAGFBVBJQYPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H43FN4O5/c1-25(43-38(45)28-14-17-34(42-21-28)24-49-37-9-4-3-8-36(37)47-2)26-10-12-27(13-11-26)30-18-31(40)20-35(19-30)48-23-33-16-15-29(22-41-33)39(46)44-32-6-5-7-32/h3-4,8-9,14-22,25-27,32H,5-7,10-13,23-24H2,1-2H3,(H,43,45)(H,44,46).
What are the key properties of N-[1-[4-[3-[[5-(cyclobutylcarbamoyl)-2-pyridinyl]methoxy]-5-fluorophenyl]cyclohexyl]ethyl]-6-[(2-methoxyphenoxy)methyl]pyridine-3-carboxamide?
N-[1-[4-[3-[[5-(cyclobutylcarbamoyl)-2-pyridinyl]methoxy]-5-fluorophenyl]cyclohexyl]ethyl]-6-[(2-methoxyphenoxy)methyl]pyridine-3-carboxamide has a molecular weight of 666.79 g/mol, XLogP of 7.16, 13 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[3-[[5-(cyclobutylcarbamoyl)-2-pyridinyl]methoxy]-5-fluorophenyl]cyclohexyl]ethyl]-6-[(2-methoxyphenoxy)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 123804402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).