N-[(3,4-dimethoxyphenyl)methyl]-5-(4-ethylanilino)-2H-triazole-4-carboxamide

C20H23N5O3 — CID 50928973

IUPACN-[(3,4-dimethoxyphenyl)methyl]-5-(4-ethylanilino)-2H-triazole-4-carboxamide
SMILESCCc1ccc(Nc2n[nH]nc2C(=O)NCc2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C20H23N5O3/c1-4-13-5-8-15(9-6-13)22-19-18(23-25-24-19)20(26)21-12-14-7-10-16(27-2)17(11-14)28-3/h5-11H,4,12H2,1-3H3,(H,21,26)(H2,22,23,24,25)
InChIKeyWPURLNUCFGIRKQ-UHFFFAOYSA-N
MW381.44 g/mol
LogP3.06
Rot. Bonds8

About N-[(3,4-dimethoxyphenyl)methyl]-5-(4-ethylanilino)-2H-triazole-4-carboxamide

N-[(3,4-dimethoxyphenyl)methyl]-5-(4-ethylanilino)-2H-triazole-4-carboxamide (PubChem CID 50928973) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-5-(4-ethylanilino)-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-5-(4-ethylanilino)-2H-triazole-4-carboxamide
PubChem CID50928973
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-5-(4-ethylanilino)-2H-triazole-4-carboxamide
SMILESCCc1ccc(Nc2n[nH]nc2C(=O)NCc2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C20H23N5O3/c1-4-13-5-8-15(9-6-13)22-19-18(23-25-24-19)20(26)21-12-14-7-10-16(27-2)17(11-14)28-3/h5-11H,4,12H2,1-3H3,(H,21,26)(H2,22,23,24,25)
InChIKeyWPURLNUCFGIRKQ-UHFFFAOYSA-N
XLogP3.06
TPSA101.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-(3,4-dimethylanilino)-N-[(4-ethylphenyl)methyl]-2H-triazole-4-carboxamide
CID 50929084
N-[(3,4-dimethoxyphenyl)methyl]-5-(4-ethylanilino)pyridine-3-carboxamide
CID 109237906
5-(3-chloroanilino)-N-[(3-ethoxy-4-methoxyphenyl)methyl]-2H-triazole-4-carboxamide
CID 50929154
5-(4-ethylanilino)-N-[(4-propoxyphenyl)methyl]-2H-triazole-4-carboxamide
CID 50928971
4-amino-N-[(3,4-dimethoxyphenyl)methyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 62082800
N-[(3,4-dimethoxyphenyl)methyl]-4-(4-fluoroanilino)pyridine-2-carboxamide
CID 109215529
N-[(3,4-dimethoxyphenyl)methyl]-5-(4-ethylanilino)triazolidine-4-carboxamide
CID 75584005
N-[(3,4-dimethoxyphenyl)methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 110388851
3-amino-N-[(3,4-dimethoxyphenyl)methyl]pyrazine-2-carboxamide
CID 46673346
N-[(3,4-dimethoxyphenyl)methyl]-2-ethoxybenzamide
CID 17070136
5-(4-ethylanilino)-N-(1-phenylethyl)-2H-triazole-4-carboxamide
CID 50928986
N-[(3,4-dimethoxyphenyl)methyl]-2-(3,5-dimethylanilino)pyrimidine-5-carboxamide
CID 109261506

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-5-(4-ethylanilino)-2H-triazole-4-carboxamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-5-(4-ethylanilino)-2H-triazole-4-carboxamide (CID 50928973) is N-[(3,4-dimethoxyphenyl)methyl]-5-(4-ethylanilino)-2H-triazole-4-carboxamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-5-(4-ethylanilino)-2H-triazole-4-carboxamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-5-(4-ethylanilino)-2H-triazole-4-carboxamide is CCc1ccc(Nc2n[nH]nc2C(=O)NCc2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-5-(4-ethylanilino)-2H-triazole-4-carboxamide?
The InChIKey is WPURLNUCFGIRKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3/c1-4-13-5-8-15(9-6-13)22-19-18(23-25-24-19)20(26)21-12-14-7-10-16(27-2)17(11-14)28-3/h5-11H,4,12H2,1-3H3,(H,21,26)(H2,22,23,24,25).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-5-(4-ethylanilino)-2H-triazole-4-carboxamide?
N-[(3,4-dimethoxyphenyl)methyl]-5-(4-ethylanilino)-2H-triazole-4-carboxamide has a molecular weight of 381.44 g/mol, XLogP of 3.06, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-5-(4-ethylanilino)-2H-triazole-4-carboxamide is sourced from PubChem (CID 50928973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).