N-[(2-methoxyphenyl)methyl]-2-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-6-methylpyridine-3-carboxamide

C28H33N3O3 — CID 83287729

IUPACN-[(2-methoxyphenyl)methyl]-2-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-6-methylpyridine-3-carboxamide
SMILESCOc1ccccc1CNC(=O)c1ccc(C)nc1C1CCN(Cc2ccccc2OC)CC1
InChIInChI=1S/C28H33N3O3/c1-20-12-13-24(28(32)29-18-22-8-4-6-10-25(22)33-2)27(30-20)21-14-16-31(17-15-21)19-23-9-5-7-11-26(23)34-3/h4-13,21H,14-19H2,1-3H3,(H,29,32)
InChIKeyIKGRDGVREFSAKJ-UHFFFAOYSA-N
MW459.59 g/mol
LogP4.72
Rot. Bonds8

About N-[(2-methoxyphenyl)methyl]-2-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-6-methylpyridine-3-carboxamide

N-[(2-methoxyphenyl)methyl]-2-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-6-methylpyridine-3-carboxamide (PubChem CID 83287729) has the molecular formula C28H33N3O3 and a molecular weight of 459.59 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-2-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-2-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-6-methylpyridine-3-carboxamide
PubChem CID83287729
Molecular FormulaC28H33N3O3
Molecular Weight459.59 g/mol
Exact Mass459.25
IUPAC NameN-[(2-methoxyphenyl)methyl]-2-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-6-methylpyridine-3-carboxamide
SMILESCOc1ccccc1CNC(=O)c1ccc(C)nc1C1CCN(Cc2ccccc2OC)CC1
InChIInChI=1S/C28H33N3O3/c1-20-12-13-24(28(32)29-18-22-8-4-6-10-25(22)33-2)27(30-20)21-14-16-31(17-15-21)19-23-9-5-7-11-26(23)34-3/h4-13,21H,14-19H2,1-3H3,(H,29,32)
InChIKeyIKGRDGVREFSAKJ-UHFFFAOYSA-N
XLogP4.72
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.59
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-N-[(2-methoxyphenyl)methyl]-6-methylpyridine-3-carboxamide
CID 46069191
2-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-N-[(2-methoxyphenyl)methyl]-6-methylpyridine-3-carboxamide
CID 46068676
2-[1-(ethylcarbamoyl)piperidin-4-yl]-N-[(2-methoxyphenyl)methyl]-6-methylpyridine-3-carboxamide
CID 42867441
N-[2-(2-methoxyphenyl)ethyl]-6-methyl-2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide
CID 42867558
N-[(3-fluorophenyl)methyl]-2-[1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]-6-methylpyridine-3-carboxamide
CID 42867550
2-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-4-yl]-6-methyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 46068698
2-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-6-methyl-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide
CID 42867368
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-4-yl]-6-methylpyridine-3-carboxamide
CID 46068597
N-(2-bicyclo[2.2.1]heptanyl)-2-[1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]-6-methylpyridine-3-carboxamide
CID 42867504
2-[1-[2-(dimethylamino)benzoyl]piperidin-4-yl]-N-[(2-ethoxyphenyl)methyl]-6-methylpyridine-3-carboxamide
CID 3415479
6-methyl-N-[(2-methylphenyl)methyl]-2-[1-(2-methylpropanoyl)piperidin-4-yl]pyridine-3-carboxamide
CID 46068495
2-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]-6-methyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 46068699

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-2-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-6-methylpyridine-3-carboxamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-2-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-6-methylpyridine-3-carboxamide (CID 83287729) is N-[(2-methoxyphenyl)methyl]-2-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-2-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-2-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-6-methylpyridine-3-carboxamide is COc1ccccc1CNC(=O)c1ccc(C)nc1C1CCN(Cc2ccccc2OC)CC1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-2-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-6-methylpyridine-3-carboxamide?
The InChIKey is IKGRDGVREFSAKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N3O3/c1-20-12-13-24(28(32)29-18-22-8-4-6-10-25(22)33-2)27(30-20)21-14-16-31(17-15-21)19-23-9-5-7-11-26(23)34-3/h4-13,21H,14-19H2,1-3H3,(H,29,32).
What are the key properties of N-[(2-methoxyphenyl)methyl]-2-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-6-methylpyridine-3-carboxamide?
N-[(2-methoxyphenyl)methyl]-2-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-6-methylpyridine-3-carboxamide has a molecular weight of 459.59 g/mol, XLogP of 4.72, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-2-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 83287729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).