N-[[4-(3,4-dimethoxyphenyl)phenyl]methyl]-5-methyl-N-[1-(3-methylbutyl)piperidin-4-yl]pyridine-2-carboxamide

C32H41N3O3 — CID 143233483

IUPACN-[[4-(3,4-dimethoxyphenyl)phenyl]methyl]-5-methyl-N-[1-(3-methylbutyl)piperidin-4-yl]pyridine-2-carboxamide
SMILESCOc1ccc(-c2ccc(CN(C(=O)c3ccc(C)cn3)C3CCN(CCC(C)C)CC3)cc2)cc1OC
InChIInChI=1S/C32H41N3O3/c1-23(2)14-17-34-18-15-28(16-19-34)35(32(36)29-12-6-24(3)21-33-29)22-25-7-9-26(10-8-25)27-11-13-30(37-4)31(20-27)38-5/h6-13,20-21,23,28H,14-19,22H2,1-5H3
InChIKeyQQUPCAYSSKPRPL-UHFFFAOYSA-N
MW515.70 g/mol
LogP6.23
Rot. Bonds10

About N-[[4-(3,4-dimethoxyphenyl)phenyl]methyl]-5-methyl-N-[1-(3-methylbutyl)piperidin-4-yl]pyridine-2-carboxamide

N-[[4-(3,4-dimethoxyphenyl)phenyl]methyl]-5-methyl-N-[1-(3-methylbutyl)piperidin-4-yl]pyridine-2-carboxamide (PubChem CID 143233483) has the molecular formula C32H41N3O3 and a molecular weight of 515.70 g/mol. Its IUPAC name is N-[[4-(3,4-dimethoxyphenyl)phenyl]methyl]-5-methyl-N-[1-(3-methylbutyl)piperidin-4-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(3,4-dimethoxyphenyl)phenyl]methyl]-5-methyl-N-[1-(3-methylbutyl)piperidin-4-yl]pyridine-2-carboxamide
PubChem CID143233483
Molecular FormulaC32H41N3O3
Molecular Weight515.70 g/mol
Exact Mass515.31
IUPAC NameN-[[4-(3,4-dimethoxyphenyl)phenyl]methyl]-5-methyl-N-[1-(3-methylbutyl)piperidin-4-yl]pyridine-2-carboxamide
SMILESCOc1ccc(-c2ccc(CN(C(=O)c3ccc(C)cn3)C3CCN(CCC(C)C)CC3)cc2)cc1OC
InChIInChI=1S/C32H41N3O3/c1-23(2)14-17-34-18-15-28(16-19-34)35(32(36)29-12-6-24(3)21-33-29)22-25-7-9-26(10-8-25)27-11-13-30(37-4)31(20-27)38-5/h6-13,20-21,23,28H,14-19,22H2,1-5H3
InChIKeyQQUPCAYSSKPRPL-UHFFFAOYSA-N
XLogP6.23
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.70
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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N-(3,4-dimethoxybenzyl)-5-(3,5-dimethylphenyl)-2,3'-bipyridine-3-carboxamide
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CID 11620342
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Frequently Asked Questions

What is the IUPAC name of N-[[4-(3,4-dimethoxyphenyl)phenyl]methyl]-5-methyl-N-[1-(3-methylbutyl)piperidin-4-yl]pyridine-2-carboxamide?
The IUPAC name of N-[[4-(3,4-dimethoxyphenyl)phenyl]methyl]-5-methyl-N-[1-(3-methylbutyl)piperidin-4-yl]pyridine-2-carboxamide (CID 143233483) is N-[[4-(3,4-dimethoxyphenyl)phenyl]methyl]-5-methyl-N-[1-(3-methylbutyl)piperidin-4-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[[4-(3,4-dimethoxyphenyl)phenyl]methyl]-5-methyl-N-[1-(3-methylbutyl)piperidin-4-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[[4-(3,4-dimethoxyphenyl)phenyl]methyl]-5-methyl-N-[1-(3-methylbutyl)piperidin-4-yl]pyridine-2-carboxamide is COc1ccc(-c2ccc(CN(C(=O)c3ccc(C)cn3)C3CCN(CCC(C)C)CC3)cc2)cc1OC.
What is the InChIKey of N-[[4-(3,4-dimethoxyphenyl)phenyl]methyl]-5-methyl-N-[1-(3-methylbutyl)piperidin-4-yl]pyridine-2-carboxamide?
The InChIKey is QQUPCAYSSKPRPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H41N3O3/c1-23(2)14-17-34-18-15-28(16-19-34)35(32(36)29-12-6-24(3)21-33-29)22-25-7-9-26(10-8-25)27-11-13-30(37-4)31(20-27)38-5/h6-13,20-21,23,28H,14-19,22H2,1-5H3.
What are the key properties of N-[[4-(3,4-dimethoxyphenyl)phenyl]methyl]-5-methyl-N-[1-(3-methylbutyl)piperidin-4-yl]pyridine-2-carboxamide?
N-[[4-(3,4-dimethoxyphenyl)phenyl]methyl]-5-methyl-N-[1-(3-methylbutyl)piperidin-4-yl]pyridine-2-carboxamide has a molecular weight of 515.70 g/mol, XLogP of 6.23, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3,4-dimethoxyphenyl)phenyl]methyl]-5-methyl-N-[1-(3-methylbutyl)piperidin-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 143233483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).