2-(3,4-dimethoxyphenyl)-N-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]acetamide

C22H30N4O3 — CID 11718243

IUPAC2-(3,4-dimethoxyphenyl)-N-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc(N3CCN(C(C)C)CC3)nc2)cc1OC
InChIInChI=1S/C22H30N4O3/c1-16(2)25-9-11-26(12-10-25)21-8-6-18(15-23-21)24-22(27)14-17-5-7-19(28-3)20(13-17)29-4/h5-8,13,15-16H,9-12,14H2,1-4H3,(H,24,27)
InChIKeyOFHRFZZXZDWVIM-UHFFFAOYSA-N
MW398.51 g/mol
LogP2.81
Rot. Bonds7

About 2-(3,4-dimethoxyphenyl)-N-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]acetamide

2-(3,4-dimethoxyphenyl)-N-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]acetamide (PubChem CID 11718243) has the molecular formula C22H30N4O3 and a molecular weight of 398.51 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]acetamide
PubChem CID11718243
Molecular FormulaC22H30N4O3
Molecular Weight398.51 g/mol
Exact Mass398.23
IUPAC Name2-(3,4-dimethoxyphenyl)-N-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc(N3CCN(C(C)C)CC3)nc2)cc1OC
InChIInChI=1S/C22H30N4O3/c1-16(2)25-9-11-26(12-10-25)21-8-6-18(15-23-21)24-22(27)14-17-5-7-19(28-3)20(13-17)29-4/h5-8,13,15-16H,9-12,14H2,1-4H3,(H,24,27)
InChIKeyOFHRFZZXZDWVIM-UHFFFAOYSA-N
XLogP2.81
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(3,4-dimethoxyphenyl)-N-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]acetamide with MolForge

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Related Compounds

N-[6-(azepan-1-yl)-3-pyridinyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 113015910
N-(6-piperidin-1-yl-3-pyridinyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 17446568
ethyl N-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]carbamate
CID 11500270
2-methylpropyl N-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]carbamate
CID 11537062
2-(3,4-dimethoxyphenyl)-N-(6-phenyl-3-pyridinyl)acetamide
CID 110634746
N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 134004746
2-[5-(1-hydroxyethyl)-2-methoxyphenyl]-N-(6-morpholin-4-yl-3-pyridinyl)acetamide
CID 42946437
2-(4-fluorophenyl)-N-[6-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]acetamide
CID 42857339
N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 110369690
N-[6-(diethylamino)-3-pyridinyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 113014574
N-[6-[4-[(2,3-dimethoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]-2-(4-methoxyphenyl)acetamide
CID 42857454
N-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-2-(2-methoxyphenoxy)acetamide
CID 113011252

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]acetamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]acetamide (CID 11718243) is 2-(3,4-dimethoxyphenyl)-N-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]acetamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]acetamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]acetamide is COc1ccc(CC(=O)Nc2ccc(N3CCN(C(C)C)CC3)nc2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]acetamide?
The InChIKey is OFHRFZZXZDWVIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O3/c1-16(2)25-9-11-26(12-10-25)21-8-6-18(15-23-21)24-22(27)14-17-5-7-19(28-3)20(13-17)29-4/h5-8,13,15-16H,9-12,14H2,1-4H3,(H,24,27).
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]acetamide?
2-(3,4-dimethoxyphenyl)-N-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]acetamide has a molecular weight of 398.51 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]acetamide is sourced from PubChem (CID 11718243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).