N-[(4-cyanophenyl)methyl]-N-(2-methoxyethyl)-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide

C22H23N5O3 — CID 112821210

IUPACN-[(4-cyanophenyl)methyl]-N-(2-methoxyethyl)-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide
SMILESCOCCN(Cc1ccc(C#N)cc1)C(=O)c1nnn(-c2ccc(OC)cc2)c1C
InChIInChI=1S/C22H23N5O3/c1-16-21(24-25-27(16)19-8-10-20(30-3)11-9-19)22(28)26(12-13-29-2)15-18-6-4-17(14-23)5-7-18/h4-11H,12-13,15H2,1-3H3
InChIKeyFZCBYDCDNFUYJH-UHFFFAOYSA-N
MW405.46 g/mol
LogP2.74
Rot. Bonds8

About N-[(4-cyanophenyl)methyl]-N-(2-methoxyethyl)-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide

N-[(4-cyanophenyl)methyl]-N-(2-methoxyethyl)-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide (PubChem CID 112821210) has the molecular formula C22H23N5O3 and a molecular weight of 405.46 g/mol. Its IUPAC name is N-[(4-cyanophenyl)methyl]-N-(2-methoxyethyl)-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[(4-cyanophenyl)methyl]-N-(2-methoxyethyl)-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide
PubChem CID112821210
Molecular FormulaC22H23N5O3
Molecular Weight405.46 g/mol
Exact Mass405.18
IUPAC NameN-[(4-cyanophenyl)methyl]-N-(2-methoxyethyl)-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide
SMILESCOCCN(Cc1ccc(C#N)cc1)C(=O)c1nnn(-c2ccc(OC)cc2)c1C
InChIInChI=1S/C22H23N5O3/c1-16-21(24-25-27(16)19-8-10-20(30-3)11-9-19)22(28)26(12-13-29-2)15-18-6-4-17(14-23)5-7-18/h4-11H,12-13,15H2,1-3H3
InChIKeyFZCBYDCDNFUYJH-UHFFFAOYSA-N
XLogP2.74
TPSA93.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(4-cyanophenyl)methyl]-N-[2-(dimethylamino)ethyl]-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide
CID 55873860
4-cyano-N-(2-methoxyethyl)-N-(pyridin-4-ylmethyl)benzamide
CID 121085063
ethyl 1-(4-methoxyphenyl)-5-methyltriazole-4-carboxylate
CID 43836208
N-(2-amino-2-methylpropyl)-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 119626658
4-cyano-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide
CID 23508555
N,N-bis(2-methoxyethyl)-5-methyl-1-(3-nitrophenyl)triazole-4-carboxamide
CID 55523547
N-[(4-cyanophenyl)methyl]-N-(2-methoxyethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 146089786
N-[(4-methoxyphenyl)methyl]-N-(3-methoxypropyl)-3-methylpyridine-2-carboxamide
CID 131912051
1-(4-methoxyphenyl)-5-methyl-N-(2-piperazin-1-ylethyl)triazole-4-carboxamide
CID 119445642
3-[(3-bromobenzoyl)amino]-N-[(4-cyanophenyl)methyl]-N-(2-methoxyethyl)benzamide
CID 112832674
1-(4-methoxyphenyl)-5-methyl-N-(piperidin-3-ylmethyl)triazole-4-carboxamide
CID 119460716
1-benzyl-N-[(4-cyanophenyl)methyl]-N-(2-methoxyethyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 112817242

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyanophenyl)methyl]-N-(2-methoxyethyl)-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide?
The IUPAC name of N-[(4-cyanophenyl)methyl]-N-(2-methoxyethyl)-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide (CID 112821210) is N-[(4-cyanophenyl)methyl]-N-(2-methoxyethyl)-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide.
What is the SMILES notation for N-[(4-cyanophenyl)methyl]-N-(2-methoxyethyl)-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide?
The canonical SMILES for N-[(4-cyanophenyl)methyl]-N-(2-methoxyethyl)-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide is COCCN(Cc1ccc(C#N)cc1)C(=O)c1nnn(-c2ccc(OC)cc2)c1C.
What is the InChIKey of N-[(4-cyanophenyl)methyl]-N-(2-methoxyethyl)-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide?
The InChIKey is FZCBYDCDNFUYJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O3/c1-16-21(24-25-27(16)19-8-10-20(30-3)11-9-19)22(28)26(12-13-29-2)15-18-6-4-17(14-23)5-7-18/h4-11H,12-13,15H2,1-3H3.
What are the key properties of N-[(4-cyanophenyl)methyl]-N-(2-methoxyethyl)-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide?
N-[(4-cyanophenyl)methyl]-N-(2-methoxyethyl)-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide has a molecular weight of 405.46 g/mol, XLogP of 2.74, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyanophenyl)methyl]-N-(2-methoxyethyl)-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide is sourced from PubChem (CID 112821210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).