5-[(4-hydroxypiperidin-1-yl)methyl]-N-[3-[3-[2-[5-[(4-hydroxypiperidin-1-yl)methyl]-4-methoxy-2-pyridinyl]-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-4-methoxypyridine-2-carboxamide

C41H49N5O6 — CID 157444418

IUPAC5-[(4-hydroxypiperidin-1-yl)methyl]-N-[3-[3-[2-[5-[(4-hydroxypiperidin-1-yl)methyl]-4-methoxy-2-pyridinyl]-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-4-methoxypyridine-2-carboxamide
SMILESCOc1cc(C(=O)Cc2cccc(-c3cccc(NC(=O)c4cc(OC)c(CN5CCC(O)CC5)cn4)c3C)c2C)ncc1CN1CCC(O)CC1
InChIInChI=1S/C41H49N5O6/c1-26-28(19-38(49)36-20-39(51-3)29(22-42-36)24-45-15-11-31(47)12-16-45)7-5-8-33(26)34-9-6-10-35(27(34)2)44-41(50)37-21-40(52-4)30(23-43-37)25-46-17-13-32(48)14-18-46/h5-10,20-23,31-32,47-48H,11-19,24-25H2,1-4H3,(H,44,50)
InChIKeyBSAXLIYCJNLIMS-UHFFFAOYSA-N
MW707.87 g/mol
LogP5.37
Rot. Bonds12

About 5-[(4-hydroxypiperidin-1-yl)methyl]-N-[3-[3-[2-[5-[(4-hydroxypiperidin-1-yl)methyl]-4-methoxy-2-pyridinyl]-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-4-methoxypyridine-2-carboxamide

5-[(4-hydroxypiperidin-1-yl)methyl]-N-[3-[3-[2-[5-[(4-hydroxypiperidin-1-yl)methyl]-4-methoxy-2-pyridinyl]-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-4-methoxypyridine-2-carboxamide (PubChem CID 157444418) has the molecular formula C41H49N5O6 and a molecular weight of 707.87 g/mol. Its IUPAC name is 5-[(4-hydroxypiperidin-1-yl)methyl]-N-[3-[3-[2-[5-[(4-hydroxypiperidin-1-yl)methyl]-4-methoxy-2-pyridinyl]-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-4-methoxypyridine-2-carboxamide.

Molecular Properties

Compound Name5-[(4-hydroxypiperidin-1-yl)methyl]-N-[3-[3-[2-[5-[(4-hydroxypiperidin-1-yl)methyl]-4-methoxy-2-pyridinyl]-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-4-methoxypyridine-2-carboxamide
PubChem CID157444418
Molecular FormulaC41H49N5O6
Molecular Weight707.87 g/mol
Exact Mass707.37
IUPAC Name5-[(4-hydroxypiperidin-1-yl)methyl]-N-[3-[3-[2-[5-[(4-hydroxypiperidin-1-yl)methyl]-4-methoxy-2-pyridinyl]-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-4-methoxypyridine-2-carboxamide
SMILESCOc1cc(C(=O)Cc2cccc(-c3cccc(NC(=O)c4cc(OC)c(CN5CCC(O)CC5)cn4)c3C)c2C)ncc1CN1CCC(O)CC1
InChIInChI=1S/C41H49N5O6/c1-26-28(19-38(49)36-20-39(51-3)29(22-42-36)24-45-15-11-31(47)12-16-45)7-5-8-33(26)34-9-6-10-35(27(34)2)44-41(50)37-21-40(52-4)30(23-43-37)25-46-17-13-32(48)14-18-46/h5-10,20-23,31-32,47-48H,11-19,24-25H2,1-4H3,(H,44,50)
InChIKeyBSAXLIYCJNLIMS-UHFFFAOYSA-N
XLogP5.37
TPSA137.35 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500707.87
LogP ≤ 55.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 5-[(4-hydroxypiperidin-1-yl)methyl]-N-[3-[3-[2-[5-[(4-hydroxypiperidin-1-yl)methyl]-4-methoxy-2-pyridinyl]-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-4-methoxypyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methoxy-N-[3-[3-[2-[4-methoxy-5-(morpholin-4-ylmethyl)-2-pyridinyl]-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-5-(morpholin-4-ylmethyl)pyridine-2-carboxamide
CID 159817032
4-methoxy-N-[3-[3-[[4-methoxy-5-(morpholin-4-ylmethyl)pyridine-2-carbonyl]amino]-2-methylphenyl]-2-methylphenyl]-5-(morpholin-4-ylmethyl)pyridine-2-carboxamide;molecular hydrogen
CID 153331960
(3S)-1-[[6-[[3-[3-[[5-[[(3S)-3-formylpyrrolidin-1-yl]methyl]-4-methoxypyridine-2-carbonyl]amino]-2-methylphenyl]-2-methylphenyl]carbamoyl]-4-methoxy-3-pyridinyl]methyl]pyrrolidine-3-carboxylic acid
CID 155393510
1-[[4-[(E)-2-[3-[3-[[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-4-methoxypyridine-2-carbonyl]amino]-2-methylphenyl]-2-methylphenyl]ethenyl]-2-methoxy-5-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid
CID 166891873
methyl (3R)-1-[[4-[(E)-2-[3-[3-[[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-4-methoxypyridine-2-carbonyl]amino]-2-methylphenyl]-2-methylphenyl]ethenyl]-2-methoxy-5-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxylate
CID 155308548
4-cyclopropyl-5-[(3-hydroxypyrrolidin-1-yl)methyl]-N-[2-methyl-3-[2-methyl-3-(methylamino)phenyl]phenyl]pyridine-2-carboxamide
CID 167074675
(3R)-1-[[4-[(E)-2-[2-cyano-3-[3-[[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-4-methoxypyridine-2-carbonyl]amino]-2-methylphenyl]phenyl]ethenyl]-2,5-dimethylphenyl]methyl]pyrrolidine-3-carboxylic acid
CID 163410745
4-methoxy-N-[3-[3-[2-[4-methoxy-5-[(2-methylsulfonylethylamino)methyl]-2-pyridinyl]-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-5-(4-methylsulfonylbutyl)pyridine-2-carboxamide
CID 159120948
4-methoxy-5-[(2-methoxyethylamino)methyl]-N-[3-[3-[[4-methoxy-5-[(2-methoxyethylamino)methyl]pyridine-2-carbonyl]amino]-2-methylphenyl]-2-methylphenyl]pyridine-2-carboxamide
CID 153331952
5-formyl-N-[3-[3-[2-(5-formyl-4-methyl-2-pyridinyl)-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-4-methylpyridine-2-carboxamide
CID 158592210
4-cyclopropyl-N-[3-[3-[2-(4-cyclopropyl-5-formyl-2-pyridinyl)-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-5-(dimethoxymethyl)pyridine-2-carboxamide
CID 167666897
(3R)-5-[6-[[3-[3-[2-[5-[[[(2R)-1-carboxy-3-hydroxypropan-2-yl]amino]methyl]-4-methoxy-2-pyridinyl]-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]carbamoyl]-4-methoxy-3-pyridinyl]-3-(hydroxymethyl)pentanoic acid
CID 157129116

Frequently Asked Questions

What is the IUPAC name of 5-[(4-hydroxypiperidin-1-yl)methyl]-N-[3-[3-[2-[5-[(4-hydroxypiperidin-1-yl)methyl]-4-methoxy-2-pyridinyl]-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-4-methoxypyridine-2-carboxamide?
The IUPAC name of 5-[(4-hydroxypiperidin-1-yl)methyl]-N-[3-[3-[2-[5-[(4-hydroxypiperidin-1-yl)methyl]-4-methoxy-2-pyridinyl]-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-4-methoxypyridine-2-carboxamide (CID 157444418) is 5-[(4-hydroxypiperidin-1-yl)methyl]-N-[3-[3-[2-[5-[(4-hydroxypiperidin-1-yl)methyl]-4-methoxy-2-pyridinyl]-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-4-methoxypyridine-2-carboxamide.
What is the SMILES notation for 5-[(4-hydroxypiperidin-1-yl)methyl]-N-[3-[3-[2-[5-[(4-hydroxypiperidin-1-yl)methyl]-4-methoxy-2-pyridinyl]-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-4-methoxypyridine-2-carboxamide?
The canonical SMILES for 5-[(4-hydroxypiperidin-1-yl)methyl]-N-[3-[3-[2-[5-[(4-hydroxypiperidin-1-yl)methyl]-4-methoxy-2-pyridinyl]-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-4-methoxypyridine-2-carboxamide is COc1cc(C(=O)Cc2cccc(-c3cccc(NC(=O)c4cc(OC)c(CN5CCC(O)CC5)cn4)c3C)c2C)ncc1CN1CCC(O)CC1.
What is the InChIKey of 5-[(4-hydroxypiperidin-1-yl)methyl]-N-[3-[3-[2-[5-[(4-hydroxypiperidin-1-yl)methyl]-4-methoxy-2-pyridinyl]-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-4-methoxypyridine-2-carboxamide?
The InChIKey is BSAXLIYCJNLIMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H49N5O6/c1-26-28(19-38(49)36-20-39(51-3)29(22-42-36)24-45-15-11-31(47)12-16-45)7-5-8-33(26)34-9-6-10-35(27(34)2)44-41(50)37-21-40(52-4)30(23-43-37)25-46-17-13-32(48)14-18-46/h5-10,20-23,31-32,47-48H,11-19,24-25H2,1-4H3,(H,44,50).
What are the key properties of 5-[(4-hydroxypiperidin-1-yl)methyl]-N-[3-[3-[2-[5-[(4-hydroxypiperidin-1-yl)methyl]-4-methoxy-2-pyridinyl]-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-4-methoxypyridine-2-carboxamide?
5-[(4-hydroxypiperidin-1-yl)methyl]-N-[3-[3-[2-[5-[(4-hydroxypiperidin-1-yl)methyl]-4-methoxy-2-pyridinyl]-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-4-methoxypyridine-2-carboxamide has a molecular weight of 707.87 g/mol, XLogP of 5.37, 12 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-hydroxypiperidin-1-yl)methyl]-N-[3-[3-[2-[5-[(4-hydroxypiperidin-1-yl)methyl]-4-methoxy-2-pyridinyl]-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-4-methoxypyridine-2-carboxamide is sourced from PubChem (CID 157444418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).