N-[(3,4-dimethoxyphenyl)methyl]-2-[4-[1-(4-methylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]acetamide

C26H30N4O3 — CID 53027195

IUPACN-[(3,4-dimethoxyphenyl)methyl]-2-[4-[1-(4-methylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]acetamide
SMILESCOc1ccc(CNC(=O)CN2CC=C(c3cnn(-c4ccc(C)cc4)c3)CC2)cc1OC
InChIInChI=1S/C26H30N4O3/c1-19-4-7-23(8-5-19)30-17-22(16-28-30)21-10-12-29(13-11-21)18-26(31)27-15-20-6-9-24(32-2)25(14-20)33-3/h4-10,14,16-17H,11-13,15,18H2,1-3H3,(H,27,31)
InChIKeyNYYBGMCAHLHMPZ-UHFFFAOYSA-N
MW446.55 g/mol
LogP3.60
Rot. Bonds8

About N-[(3,4-dimethoxyphenyl)methyl]-2-[4-[1-(4-methylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]acetamide

N-[(3,4-dimethoxyphenyl)methyl]-2-[4-[1-(4-methylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]acetamide (PubChem CID 53027195) has the molecular formula C26H30N4O3 and a molecular weight of 446.55 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-2-[4-[1-(4-methylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-2-[4-[1-(4-methylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]acetamide
PubChem CID53027195
Molecular FormulaC26H30N4O3
Molecular Weight446.55 g/mol
Exact Mass446.23
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-2-[4-[1-(4-methylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]acetamide
SMILESCOc1ccc(CNC(=O)CN2CC=C(c3cnn(-c4ccc(C)cc4)c3)CC2)cc1OC
InChIInChI=1S/C26H30N4O3/c1-19-4-7-23(8-5-19)30-17-22(16-28-30)21-10-12-29(13-11-21)18-26(31)27-15-20-6-9-24(32-2)25(14-20)33-3/h4-10,14,16-17H,11-13,15,18H2,1-3H3,(H,27,31)
InChIKeyNYYBGMCAHLHMPZ-UHFFFAOYSA-N
XLogP3.60
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.55
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-chlorophenyl)methyl]-2-[4-[1-(4-methylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]acetamide
CID 53027057
N-[(3-bromophenyl)methyl]-2-[4-[1-(3,4-dimethylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]acetamide
CID 53027167
N-[2-(cyclohexen-1-yl)ethyl]-2-[4-[1-(4-methylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]acetamide
CID 53027001
N-(2-chloro-4-methylphenyl)-2-[4-[1-(4-methylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]acetamide
CID 53027038
N-[(3,4-dimethoxyphenyl)methyl]-2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 8997277
1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-[4-(1-phenylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 53027086
N-[(3,4-dimethoxyphenyl)methyl]-2-(4-propylpiperazin-1-yl)acetamide
CID 4788921
1-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]-6-oxopyridine-3-carboxylic acid
CID 73253839
N'-[(3,4-dimethoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]oxamide
CID 108984830
N-[(3,4-dimethoxyphenyl)methyl]-2-(2,6-dimethylmorpholin-4-yl)acetamide
CID 17407308
N-[(3,4-dimethoxyphenyl)methyl]-2-(3-methylpiperidin-1-yl)acetamide
CID 18083473
N-[(3,4-dimethoxyphenyl)methyl]-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetamide
CID 18078469

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-[4-[1-(4-methylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]acetamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-[4-[1-(4-methylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]acetamide (CID 53027195) is N-[(3,4-dimethoxyphenyl)methyl]-2-[4-[1-(4-methylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]acetamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-2-[4-[1-(4-methylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]acetamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-2-[4-[1-(4-methylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]acetamide is COc1ccc(CNC(=O)CN2CC=C(c3cnn(-c4ccc(C)cc4)c3)CC2)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-2-[4-[1-(4-methylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]acetamide?
The InChIKey is NYYBGMCAHLHMPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O3/c1-19-4-7-23(8-5-19)30-17-22(16-28-30)21-10-12-29(13-11-21)18-26(31)27-15-20-6-9-24(32-2)25(14-20)33-3/h4-10,14,16-17H,11-13,15,18H2,1-3H3,(H,27,31).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-2-[4-[1-(4-methylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]acetamide?
N-[(3,4-dimethoxyphenyl)methyl]-2-[4-[1-(4-methylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]acetamide has a molecular weight of 446.55 g/mol, XLogP of 3.60, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-2-[4-[1-(4-methylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]acetamide is sourced from PubChem (CID 53027195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).