N-[[6-amino-4-(2-methoxyethoxy)-2-methyl-3-pyridinyl]methyl]-1-phenylpyrazole-4-carboxamide

C20H23N5O3 — CID 66729346

IUPACN-[[6-amino-4-(2-methoxyethoxy)-2-methyl-3-pyridinyl]methyl]-1-phenylpyrazole-4-carboxamide
SMILESCOCCOc1cc(N)nc(C)c1CNC(=O)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C20H23N5O3/c1-14-17(18(10-19(21)24-14)28-9-8-27-2)12-22-20(26)15-11-23-25(13-15)16-6-4-3-5-7-16/h3-7,10-11,13H,8-9,12H2,1-2H3,(H2,21,24)(H,22,26)
InChIKeyOXTKONPGXNSIIX-UHFFFAOYSA-N
MW381.44 g/mol
LogP2.11
Rot. Bonds8

About N-[[6-amino-4-(2-methoxyethoxy)-2-methyl-3-pyridinyl]methyl]-1-phenylpyrazole-4-carboxamide

N-[[6-amino-4-(2-methoxyethoxy)-2-methyl-3-pyridinyl]methyl]-1-phenylpyrazole-4-carboxamide (PubChem CID 66729346) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is N-[[6-amino-4-(2-methoxyethoxy)-2-methyl-3-pyridinyl]methyl]-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[[6-amino-4-(2-methoxyethoxy)-2-methyl-3-pyridinyl]methyl]-1-phenylpyrazole-4-carboxamide
PubChem CID66729346
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC NameN-[[6-amino-4-(2-methoxyethoxy)-2-methyl-3-pyridinyl]methyl]-1-phenylpyrazole-4-carboxamide
SMILESCOCCOc1cc(N)nc(C)c1CNC(=O)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C20H23N5O3/c1-14-17(18(10-19(21)24-14)28-9-8-27-2)12-22-20(26)15-11-23-25(13-15)16-6-4-3-5-7-16/h3-7,10-11,13H,8-9,12H2,1-2H3,(H2,21,24)(H,22,26)
InChIKeyOXTKONPGXNSIIX-UHFFFAOYSA-N
XLogP2.11
TPSA104.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[[6-amino-4-(2-methoxyethoxy)-2-methyl-3-pyridinyl]methyl]-1-phenylpyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[6-amino-4-(2-methoxyethoxy)-2-methyl-3-pyridinyl]methyl]-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-[[6-amino-4-(2-methoxyethoxy)-2-methyl-3-pyridinyl]methyl]-1-phenylpyrazole-4-carboxamide (CID 66729346) is N-[[6-amino-4-(2-methoxyethoxy)-2-methyl-3-pyridinyl]methyl]-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-[[6-amino-4-(2-methoxyethoxy)-2-methyl-3-pyridinyl]methyl]-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-[[6-amino-4-(2-methoxyethoxy)-2-methyl-3-pyridinyl]methyl]-1-phenylpyrazole-4-carboxamide is COCCOc1cc(N)nc(C)c1CNC(=O)c1cnn(-c2ccccc2)c1.
What is the InChIKey of N-[[6-amino-4-(2-methoxyethoxy)-2-methyl-3-pyridinyl]methyl]-1-phenylpyrazole-4-carboxamide?
The InChIKey is OXTKONPGXNSIIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3/c1-14-17(18(10-19(21)24-14)28-9-8-27-2)12-22-20(26)15-11-23-25(13-15)16-6-4-3-5-7-16/h3-7,10-11,13H,8-9,12H2,1-2H3,(H2,21,24)(H,22,26).
What are the key properties of N-[[6-amino-4-(2-methoxyethoxy)-2-methyl-3-pyridinyl]methyl]-1-phenylpyrazole-4-carboxamide?
N-[[6-amino-4-(2-methoxyethoxy)-2-methyl-3-pyridinyl]methyl]-1-phenylpyrazole-4-carboxamide has a molecular weight of 381.44 g/mol, XLogP of 2.11, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-amino-4-(2-methoxyethoxy)-2-methyl-3-pyridinyl]methyl]-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 66729346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).