2-(3,4-dimethoxyphenyl)-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]acetamide

C20H22N4O3 — CID 121196270

IUPAC2-(3,4-dimethoxyphenyl)-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]acetamide
SMILESCOc1ccc(CC(=O)NCc2cncc(-c3cnn(C)c3)c2)cc1OC
InChIInChI=1S/C20H22N4O3/c1-24-13-17(12-23-24)16-6-15(9-21-11-16)10-22-20(25)8-14-4-5-18(26-2)19(7-14)27-3/h4-7,9,11-13H,8,10H2,1-3H3,(H,22,25)
InChIKeyCDUXGQLBJMIKGX-UHFFFAOYSA-N
MW366.42 g/mol
LogP2.36
Rot. Bonds7

About 2-(3,4-dimethoxyphenyl)-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]acetamide

2-(3,4-dimethoxyphenyl)-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]acetamide (PubChem CID 121196270) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]acetamide
PubChem CID121196270
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC Name2-(3,4-dimethoxyphenyl)-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]acetamide
SMILESCOc1ccc(CC(=O)NCc2cncc(-c3cnn(C)c3)c2)cc1OC
InChIInChI=1S/C20H22N4O3/c1-24-13-17(12-23-24)16-6-15(9-21-11-16)10-22-20(25)8-14-4-5-18(26-2)19(7-14)27-3/h4-7,9,11-13H,8,10H2,1-3H3,(H,22,25)
InChIKeyCDUXGQLBJMIKGX-UHFFFAOYSA-N
XLogP2.36
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(3,4-dimethoxyphenyl)-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]acetamide 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

3-fluoro-4-methoxy-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide
CID 121022353
2-(4-methylphenoxy)-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]acetamide
CID 121196371
2-bromo-5-methoxy-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide
CID 121196274
2-(2-chloro-6-fluorophenyl)-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]acetamide
CID 119105107
ethyl 4-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methylamino]-4-oxobutanoate
CID 121196424
3-(2-methylphenyl)-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]propanamide
CID 121196296
(E)-3-(4-methoxyphenyl)-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]prop-2-enamide
CID 121196422
2,6-difluoro-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide
CID 121022339
1-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-3-propylurea
CID 121196479
N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-4-propan-2-yloxybenzamide
CID 121196250
3-fluoro-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide
CID 121196339
2-(3,4-dimethoxyphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 9483239

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]acetamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]acetamide (CID 121196270) is 2-(3,4-dimethoxyphenyl)-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]acetamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]acetamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]acetamide is COc1ccc(CC(=O)NCc2cncc(-c3cnn(C)c3)c2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]acetamide?
The InChIKey is CDUXGQLBJMIKGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-24-13-17(12-23-24)16-6-15(9-21-11-16)10-22-20(25)8-14-4-5-18(26-2)19(7-14)27-3/h4-7,9,11-13H,8,10H2,1-3H3,(H,22,25).
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]acetamide?
2-(3,4-dimethoxyphenyl)-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]acetamide has a molecular weight of 366.42 g/mol, XLogP of 2.36, 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-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]acetamide is sourced from PubChem (CID 121196270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).