N-(3,4-dimethoxyphenyl)-2-[(1-pyrimidin-2-ylpyrazol-4-yl)amino]acetamide

C17H18N6O3 — CID 167766154

IUPACN-(3,4-dimethoxyphenyl)-2-[(1-pyrimidin-2-ylpyrazol-4-yl)amino]acetamide
SMILESCOc1ccc(NC(=O)CNc2cnn(-c3ncccn3)c2)cc1OC
InChIInChI=1S/C17H18N6O3/c1-25-14-5-4-12(8-15(14)26-2)22-16(24)10-20-13-9-21-23(11-13)17-18-6-3-7-19-17/h3-9,11,20H,10H2,1-2H3,(H,22,24)
InChIKeyPFCIPQXQCXODMI-UHFFFAOYSA-N
MW354.37 g/mol
LogP1.73
Rot. Bonds7

About N-(3,4-dimethoxyphenyl)-2-[(1-pyrimidin-2-ylpyrazol-4-yl)amino]acetamide

N-(3,4-dimethoxyphenyl)-2-[(1-pyrimidin-2-ylpyrazol-4-yl)amino]acetamide (PubChem CID 167766154) has the molecular formula C17H18N6O3 and a molecular weight of 354.37 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2-[(1-pyrimidin-2-ylpyrazol-4-yl)amino]acetamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-2-[(1-pyrimidin-2-ylpyrazol-4-yl)amino]acetamide
PubChem CID167766154
Molecular FormulaC17H18N6O3
Molecular Weight354.37 g/mol
Exact Mass354.14
IUPAC NameN-(3,4-dimethoxyphenyl)-2-[(1-pyrimidin-2-ylpyrazol-4-yl)amino]acetamide
SMILESCOc1ccc(NC(=O)CNc2cnn(-c3ncccn3)c2)cc1OC
InChIInChI=1S/C17H18N6O3/c1-25-14-5-4-12(8-15(14)26-2)22-16(24)10-20-13-9-21-23(11-13)17-18-6-3-7-19-17/h3-9,11,20H,10H2,1-2H3,(H,22,24)
InChIKeyPFCIPQXQCXODMI-UHFFFAOYSA-N
XLogP1.73
TPSA103.19 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-(3,4-dimethoxyphenyl)-2-pyrimidin-2-yloxyacetamide
CID 121086700
2-(3,4-dichloroanilino)-N-(3,4-dimethoxyphenyl)acetamide
CID 9098792
N-(3,4-dimethoxyphenyl)-2-(4-ethoxyanilino)acetamide
CID 109009183
2-(4-cyanoanilino)-N-(3,4-dimethoxyphenyl)acetamide
CID 26437501
N-(3,4-dimethoxyphenyl)-2-(4-ethylanilino)acetamide
CID 37465407
N-(3-chloro-4-methoxyphenyl)-2-(3,4-dimethoxyanilino)acetamide
CID 109008835
N-(3-acetylphenyl)-2-(3,4-dimethoxyanilino)acetamide
CID 109009580
2-(3-bromoanilino)-N-(3,4-dimethoxyphenyl)acetamide
CID 9080374
N-(3,4-difluorophenyl)-2-(3,4-dimethoxyanilino)acetamide
CID 109009628
2-(4,5-dimethoxy-2-methylanilino)-N-(3,4-dimethoxyphenyl)acetamide
CID 9105356
N,N'-bis(3,4-dimethoxyphenyl)propanediamide
CID 21232287
2-(4-bromo-3-methylanilino)-N-(3,4-dimethoxyphenyl)acetamide
CID 9099482

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-2-[(1-pyrimidin-2-ylpyrazol-4-yl)amino]acetamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-2-[(1-pyrimidin-2-ylpyrazol-4-yl)amino]acetamide (CID 167766154) is N-(3,4-dimethoxyphenyl)-2-[(1-pyrimidin-2-ylpyrazol-4-yl)amino]acetamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-2-[(1-pyrimidin-2-ylpyrazol-4-yl)amino]acetamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-2-[(1-pyrimidin-2-ylpyrazol-4-yl)amino]acetamide is COc1ccc(NC(=O)CNc2cnn(-c3ncccn3)c2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-2-[(1-pyrimidin-2-ylpyrazol-4-yl)amino]acetamide?
The InChIKey is PFCIPQXQCXODMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O3/c1-25-14-5-4-12(8-15(14)26-2)22-16(24)10-20-13-9-21-23(11-13)17-18-6-3-7-19-17/h3-9,11,20H,10H2,1-2H3,(H,22,24).
What are the key properties of N-(3,4-dimethoxyphenyl)-2-[(1-pyrimidin-2-ylpyrazol-4-yl)amino]acetamide?
N-(3,4-dimethoxyphenyl)-2-[(1-pyrimidin-2-ylpyrazol-4-yl)amino]acetamide has a molecular weight of 354.37 g/mol, XLogP of 1.73, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-2-[(1-pyrimidin-2-ylpyrazol-4-yl)amino]acetamide is sourced from PubChem (CID 167766154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).