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

C37H41N5O4 — CID 123216844

IUPACN-[1-[4-[3-[[5-(cyclobutylcarbamoyl)-2-pyridinyl]methoxy]phenyl]cyclohexyl]ethyl]-6-(pyridin-3-yloxymethyl)pyridine-3-carboxamide
SMILESCC(NC(=O)c1ccc(COc2cccnc2)nc1)C1CCC(c2cccc(OCc3ccc(C(=O)NC4CCC4)cn3)c2)CC1
InChIInChI=1S/C37H41N5O4/c1-25(41-36(43)29-14-16-33(39-20-29)24-46-35-9-4-18-38-22-35)26-10-12-27(13-11-26)28-5-2-8-34(19-28)45-23-32-17-15-30(21-40-32)37(44)42-31-6-3-7-31/h2,4-5,8-9,14-22,25-27,31H,3,6-7,10-13,23-24H2,1H3,(H,41,43)(H,42,44)
InChIKeyLGJVJBPIDCOFLU-UHFFFAOYSA-N
MW619.77 g/mol
LogP6.40
Rot. Bonds12

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

N-[1-[4-[3-[[5-(cyclobutylcarbamoyl)-2-pyridinyl]methoxy]phenyl]cyclohexyl]ethyl]-6-(pyridin-3-yloxymethyl)pyridine-3-carboxamide (PubChem CID 123216844) has the molecular formula C37H41N5O4 and a molecular weight of 619.77 g/mol. Its IUPAC name is N-[1-[4-[3-[[5-(cyclobutylcarbamoyl)-2-pyridinyl]methoxy]phenyl]cyclohexyl]ethyl]-6-(pyridin-3-yloxymethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[4-[3-[[5-(cyclobutylcarbamoyl)-2-pyridinyl]methoxy]phenyl]cyclohexyl]ethyl]-6-(pyridin-3-yloxymethyl)pyridine-3-carboxamide
PubChem CID123216844
Molecular FormulaC37H41N5O4
Molecular Weight619.77 g/mol
Exact Mass619.32
IUPAC NameN-[1-[4-[3-[[5-(cyclobutylcarbamoyl)-2-pyridinyl]methoxy]phenyl]cyclohexyl]ethyl]-6-(pyridin-3-yloxymethyl)pyridine-3-carboxamide
SMILESCC(NC(=O)c1ccc(COc2cccnc2)nc1)C1CCC(c2cccc(OCc3ccc(C(=O)NC4CCC4)cn3)c2)CC1
InChIInChI=1S/C37H41N5O4/c1-25(41-36(43)29-14-16-33(39-20-29)24-46-35-9-4-18-38-22-35)26-10-12-27(13-11-26)28-5-2-8-34(19-28)45-23-32-17-15-30(21-40-32)37(44)42-31-6-3-7-31/h2,4-5,8-9,14-22,25-27,31H,3,6-7,10-13,23-24H2,1H3,(H,41,43)(H,42,44)
InChIKeyLGJVJBPIDCOFLU-UHFFFAOYSA-N
XLogP6.40
TPSA115.33 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500619.77
LogP ≤ 56.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

Azd-3161
CID 56945146
N-[(5,6-dimethoxy-2-pyridinyl)methyl]-5-(5-methyl-3-pyridinyl)-2-phenylpyridine-3-carboxamide
CID 25225718
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
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
N-benzyl-2-[5-[4-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethoxy]phenyl]-2-pyridinyl]acetamide
CID 166635072
5-(3,5-dimethylphenyl)-N-[(3-methoxyphenyl)methyl]-2-pyridin-3-ylpyridine-3-carboxamide
CID 25060382
5-[[3-[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]phenyl]methoxy]pyridine-3-carboxamide
CID 124155865
5-[[3-[(4-Phenylbenzoyl)amino]phenyl]methoxy]pyridine-3-carboxamide
CID 124155887
5-[[3-[(4-Cyclohexylbenzoyl)amino]phenyl]methoxy]pyridine-3-carboxamide
CID 124155894
5-[[3-[(3-Fluoro-4-pyridin-3-ylbenzoyl)amino]phenyl]methoxy]pyridine-3-carboxamide
CID 124155918

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[3-[[5-(cyclobutylcarbamoyl)-2-pyridinyl]methoxy]phenyl]cyclohexyl]ethyl]-6-(pyridin-3-yloxymethyl)pyridine-3-carboxamide?
The IUPAC name of N-[1-[4-[3-[[5-(cyclobutylcarbamoyl)-2-pyridinyl]methoxy]phenyl]cyclohexyl]ethyl]-6-(pyridin-3-yloxymethyl)pyridine-3-carboxamide (CID 123216844) is N-[1-[4-[3-[[5-(cyclobutylcarbamoyl)-2-pyridinyl]methoxy]phenyl]cyclohexyl]ethyl]-6-(pyridin-3-yloxymethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[1-[4-[3-[[5-(cyclobutylcarbamoyl)-2-pyridinyl]methoxy]phenyl]cyclohexyl]ethyl]-6-(pyridin-3-yloxymethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[1-[4-[3-[[5-(cyclobutylcarbamoyl)-2-pyridinyl]methoxy]phenyl]cyclohexyl]ethyl]-6-(pyridin-3-yloxymethyl)pyridine-3-carboxamide is CC(NC(=O)c1ccc(COc2cccnc2)nc1)C1CCC(c2cccc(OCc3ccc(C(=O)NC4CCC4)cn3)c2)CC1.
What is the InChIKey of N-[1-[4-[3-[[5-(cyclobutylcarbamoyl)-2-pyridinyl]methoxy]phenyl]cyclohexyl]ethyl]-6-(pyridin-3-yloxymethyl)pyridine-3-carboxamide?
The InChIKey is LGJVJBPIDCOFLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H41N5O4/c1-25(41-36(43)29-14-16-33(39-20-29)24-46-35-9-4-18-38-22-35)26-10-12-27(13-11-26)28-5-2-8-34(19-28)45-23-32-17-15-30(21-40-32)37(44)42-31-6-3-7-31/h2,4-5,8-9,14-22,25-27,31H,3,6-7,10-13,23-24H2,1H3,(H,41,43)(H,42,44).
What are the key properties of N-[1-[4-[3-[[5-(cyclobutylcarbamoyl)-2-pyridinyl]methoxy]phenyl]cyclohexyl]ethyl]-6-(pyridin-3-yloxymethyl)pyridine-3-carboxamide?
N-[1-[4-[3-[[5-(cyclobutylcarbamoyl)-2-pyridinyl]methoxy]phenyl]cyclohexyl]ethyl]-6-(pyridin-3-yloxymethyl)pyridine-3-carboxamide has a molecular weight of 619.77 g/mol, XLogP of 6.40, 12 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]phenyl]cyclohexyl]ethyl]-6-(pyridin-3-yloxymethyl)pyridine-3-carboxamide is sourced from PubChem (CID 123216844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).