N-[1-[4-[3-[[5-(1-cyclohexylethylcarbamoyl)-2-pyridinyl]methoxy]phenyl]cyclohexyl]ethyl]-6-(pyridin-4-yloxymethyl)pyridine-3-carboxamide

C41H49N5O4 — CID 123845590

IUPACN-[1-[4-[3-[[5-(1-cyclohexylethylcarbamoyl)-2-pyridinyl]methoxy]phenyl]cyclohexyl]ethyl]-6-(pyridin-4-yloxymethyl)pyridine-3-carboxamide
SMILESCC(NC(=O)c1ccc(COc2cccc(C3CCC(C(C)NC(=O)c4ccc(COc5ccncc5)nc4)CC3)c2)nc1)C1CCCCC1
InChIInChI=1S/C41H49N5O4/c1-28(30-7-4-3-5-8-30)45-40(47)34-16-18-37(44-25-34)27-50-39-10-6-9-33(23-39)32-13-11-31(12-14-32)29(2)46-41(48)35-15-17-36(43-24-35)26-49-38-19-21-42-22-20-38/h6,9-10,15-25,28-32H,3-5,7-8,11-14,26-27H2,1-2H3,(H,45,47)(H,46,48)
InChIKeyAQQNEOUSYFCNSH-UHFFFAOYSA-N
MW675.87 g/mol
LogP7.82
Rot. Bonds13

About N-[1-[4-[3-[[5-(1-cyclohexylethylcarbamoyl)-2-pyridinyl]methoxy]phenyl]cyclohexyl]ethyl]-6-(pyridin-4-yloxymethyl)pyridine-3-carboxamide

N-[1-[4-[3-[[5-(1-cyclohexylethylcarbamoyl)-2-pyridinyl]methoxy]phenyl]cyclohexyl]ethyl]-6-(pyridin-4-yloxymethyl)pyridine-3-carboxamide (PubChem CID 123845590) has the molecular formula C41H49N5O4 and a molecular weight of 675.87 g/mol. Its IUPAC name is N-[1-[4-[3-[[5-(1-cyclohexylethylcarbamoyl)-2-pyridinyl]methoxy]phenyl]cyclohexyl]ethyl]-6-(pyridin-4-yloxymethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[4-[3-[[5-(1-cyclohexylethylcarbamoyl)-2-pyridinyl]methoxy]phenyl]cyclohexyl]ethyl]-6-(pyridin-4-yloxymethyl)pyridine-3-carboxamide
PubChem CID123845590
Molecular FormulaC41H49N5O4
Molecular Weight675.87 g/mol
Exact Mass675.38
IUPAC NameN-[1-[4-[3-[[5-(1-cyclohexylethylcarbamoyl)-2-pyridinyl]methoxy]phenyl]cyclohexyl]ethyl]-6-(pyridin-4-yloxymethyl)pyridine-3-carboxamide
SMILESCC(NC(=O)c1ccc(COc2cccc(C3CCC(C(C)NC(=O)c4ccc(COc5ccncc5)nc4)CC3)c2)nc1)C1CCCCC1
InChIInChI=1S/C41H49N5O4/c1-28(30-7-4-3-5-8-30)45-40(47)34-16-18-37(44-25-34)27-50-39-10-6-9-33(23-39)32-13-11-31(12-14-32)29(2)46-41(48)35-15-17-36(43-24-35)26-49-38-19-21-42-22-20-38/h6,9-10,15-25,28-32H,3-5,7-8,11-14,26-27H2,1-2H3,(H,45,47)(H,46,48)
InChIKeyAQQNEOUSYFCNSH-UHFFFAOYSA-N
XLogP7.82
TPSA115.33 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500675.87
LogP ≤ 57.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[1-[4-[3-[[5-(1-cyclohexylethylcarbamoyl)-2-pyridinyl]methoxy]phenyl]cyclohexyl]ethyl]-6-(pyridin-4-yloxymethyl)pyridine-3-carboxamide with MolForge

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Related Compounds

Azd-3161
CID 56945146
N-[(3R)-3-[4-[4-(2-amino-2-oxoethoxy)-N-[(4-methyl-3-pyridinyl)methyl]anilino]piperidin-1-yl]butyl]-6-cyano-2,4-dimethylpyridine-3-carboxamide
CID 57402802
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-(1-(4-cyanobenzyl)piperidin-4-yl)-5-(4-(4-methoxybenzyl) piperidine-1-carbonyl)picolinamide
CID 66710649
6-(2-fluoranylpyridin-4-yl)-~{N}-[(1~{R})-1-(3-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 168276974
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
5-(3,5-dimethylphenyl)-N-[(3-methoxyphenyl)methyl]-2-pyridin-3-ylpyridine-3-carboxamide
CID 25060382
N-(1-(4-cyanobenzyl)piperidin-4-yl)-5-(4-(4-methoxyphenoxy) piperidine-1-carbonyl)picolinamide
CID 66710345
5-[[3-[(3-Fluoro-4-pyridin-3-ylbenzoyl)amino]phenyl]methoxy]pyridine-3-carboxamide
CID 124155918
5-[[3-[(4-Pyridin-3-ylbenzoyl)amino]phenyl]methoxy]pyridine-3-carboxamide
CID 124156464
N-[3-[(5-carbamoyl-3-pyridinyl)oxymethyl]phenyl]-6-phenylpyridine-3-carboxamide
CID 124156568
5-[[3-[(4-Pyridin-4-ylbenzoyl)amino]phenyl]methoxy]pyridine-3-carboxamide
CID 124156601

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[3-[[5-(1-cyclohexylethylcarbamoyl)-2-pyridinyl]methoxy]phenyl]cyclohexyl]ethyl]-6-(pyridin-4-yloxymethyl)pyridine-3-carboxamide?
The IUPAC name of N-[1-[4-[3-[[5-(1-cyclohexylethylcarbamoyl)-2-pyridinyl]methoxy]phenyl]cyclohexyl]ethyl]-6-(pyridin-4-yloxymethyl)pyridine-3-carboxamide (CID 123845590) is N-[1-[4-[3-[[5-(1-cyclohexylethylcarbamoyl)-2-pyridinyl]methoxy]phenyl]cyclohexyl]ethyl]-6-(pyridin-4-yloxymethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[1-[4-[3-[[5-(1-cyclohexylethylcarbamoyl)-2-pyridinyl]methoxy]phenyl]cyclohexyl]ethyl]-6-(pyridin-4-yloxymethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[1-[4-[3-[[5-(1-cyclohexylethylcarbamoyl)-2-pyridinyl]methoxy]phenyl]cyclohexyl]ethyl]-6-(pyridin-4-yloxymethyl)pyridine-3-carboxamide is CC(NC(=O)c1ccc(COc2cccc(C3CCC(C(C)NC(=O)c4ccc(COc5ccncc5)nc4)CC3)c2)nc1)C1CCCCC1.
What is the InChIKey of N-[1-[4-[3-[[5-(1-cyclohexylethylcarbamoyl)-2-pyridinyl]methoxy]phenyl]cyclohexyl]ethyl]-6-(pyridin-4-yloxymethyl)pyridine-3-carboxamide?
The InChIKey is AQQNEOUSYFCNSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H49N5O4/c1-28(30-7-4-3-5-8-30)45-40(47)34-16-18-37(44-25-34)27-50-39-10-6-9-33(23-39)32-13-11-31(12-14-32)29(2)46-41(48)35-15-17-36(43-24-35)26-49-38-19-21-42-22-20-38/h6,9-10,15-25,28-32H,3-5,7-8,11-14,26-27H2,1-2H3,(H,45,47)(H,46,48).
What are the key properties of N-[1-[4-[3-[[5-(1-cyclohexylethylcarbamoyl)-2-pyridinyl]methoxy]phenyl]cyclohexyl]ethyl]-6-(pyridin-4-yloxymethyl)pyridine-3-carboxamide?
N-[1-[4-[3-[[5-(1-cyclohexylethylcarbamoyl)-2-pyridinyl]methoxy]phenyl]cyclohexyl]ethyl]-6-(pyridin-4-yloxymethyl)pyridine-3-carboxamide has a molecular weight of 675.87 g/mol, XLogP of 7.82, 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-(1-cyclohexylethylcarbamoyl)-2-pyridinyl]methoxy]phenyl]cyclohexyl]ethyl]-6-(pyridin-4-yloxymethyl)pyridine-3-carboxamide is sourced from PubChem (CID 123845590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).