N-cyclopropyl-1-[4-(ethylcarbamoyl)phenyl]-5-[(E)-2-(1-methyl-1,2,4-triazol-3-yl)ethenyl]triazole-4-carboxamide;N-cyclopropyl-1-[4-(ethylcarbamoyl)phenyl]-5-[(E)-2-(2-methyl-1,2,4-triazol-3-yl)ethenyl]triazole-4-carboxamide

C40H44N16O4 — CID 160874146

IUPACN-cyclopropyl-1-[4-(ethylcarbamoyl)phenyl]-5-[(E)-2-(1-methyl-1,2,4-triazol-3-yl)ethenyl]triazole-4-carboxamide;N-cyclopropyl-1-[4-(ethylcarbamoyl)phenyl]-5-[(E)-2-(2-methyl-1,2,4-triazol-3-yl)ethenyl]triazole-4-carboxamide
SMILESCCNC(=O)c1ccc(-n2nnc(C(=O)NC3CC3)c2/C=C/c2ncn(C)n2)cc1.CCNC(=O)c1ccc(-n2nnc(C(=O)NC3CC3)c2/C=C/c2ncnn2C)cc1
InChIInChI=1S/2C20H22N8O2/c1-3-21-19(29)13-4-8-15(9-5-13)28-16(10-11-17-22-12-27(2)25-17)18(24-26-28)20(30)23-14-6-7-14;1-3-21-19(29)13-4-8-15(9-5-13)28-16(10-11-17-22-12-23-27(17)2)18(25-26-28)20(30)24-14-6-7-14/h4-5,8-12,14H,3,6-7H2,1-2H3,(H,21,29)(H,23,30);4-5,8-12,14H,3,6-7H2,1-2H3,(H,21,29)(H,24,30)/b2*11-10+
InChIKeySMDRHFDWVYNOTQ-YFGZYSTASA-N
MW812.90 g/mol
LogP2.42
Rot. Bonds14

About N-cyclopropyl-1-[4-(ethylcarbamoyl)phenyl]-5-[(E)-2-(1-methyl-1,2,4-triazol-3-yl)ethenyl]triazole-4-carboxamide;N-cyclopropyl-1-[4-(ethylcarbamoyl)phenyl]-5-[(E)-2-(2-methyl-1,2,4-triazol-3-yl)ethenyl]triazole-4-carboxamide

N-cyclopropyl-1-[4-(ethylcarbamoyl)phenyl]-5-[(E)-2-(1-methyl-1,2,4-triazol-3-yl)ethenyl]triazole-4-carboxamide;N-cyclopropyl-1-[4-(ethylcarbamoyl)phenyl]-5-[(E)-2-(2-methyl-1,2,4-triazol-3-yl)ethenyl]triazole-4-carboxamide (PubChem CID 160874146) has the molecular formula C40H44N16O4 and a molecular weight of 812.90 g/mol. Its IUPAC name is N-cyclopropyl-1-[4-(ethylcarbamoyl)phenyl]-5-[(E)-2-(1-methyl-1,2,4-triazol-3-yl)ethenyl]triazole-4-carboxamide;N-cyclopropyl-1-[4-(ethylcarbamoyl)phenyl]-5-[(E)-2-(2-methyl-1,2,4-triazol-3-yl)ethenyl]triazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-[4-(ethylcarbamoyl)phenyl]-5-[(E)-2-(1-methyl-1,2,4-triazol-3-yl)ethenyl]triazole-4-carboxamide;N-cyclopropyl-1-[4-(ethylcarbamoyl)phenyl]-5-[(E)-2-(2-methyl-1,2,4-triazol-3-yl)ethenyl]triazole-4-carboxamide
PubChem CID160874146
Molecular FormulaC40H44N16O4
Molecular Weight812.90 g/mol
Exact Mass812.37
IUPAC NameN-cyclopropyl-1-[4-(ethylcarbamoyl)phenyl]-5-[(E)-2-(1-methyl-1,2,4-triazol-3-yl)ethenyl]triazole-4-carboxamide;N-cyclopropyl-1-[4-(ethylcarbamoyl)phenyl]-5-[(E)-2-(2-methyl-1,2,4-triazol-3-yl)ethenyl]triazole-4-carboxamide
SMILESCCNC(=O)c1ccc(-n2nnc(C(=O)NC3CC3)c2/C=C/c2ncn(C)n2)cc1.CCNC(=O)c1ccc(-n2nnc(C(=O)NC3CC3)c2/C=C/c2ncnn2C)cc1
InChIInChI=1S/2C20H22N8O2/c1-3-21-19(29)13-4-8-15(9-5-13)28-16(10-11-17-22-12-27(2)25-17)18(24-26-28)20(30)23-14-6-7-14;1-3-21-19(29)13-4-8-15(9-5-13)28-16(10-11-17-22-12-23-27(17)2)18(25-26-28)20(30)24-14-6-7-14/h4-5,8-12,14H,3,6-7H2,1-2H3,(H,21,29)(H,23,30);4-5,8-12,14H,3,6-7H2,1-2H3,(H,21,29)(H,24,30)/b2*11-10+
InChIKeySMDRHFDWVYNOTQ-YFGZYSTASA-N
XLogP2.42
TPSA239.24 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds14
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500812.90
LogP ≤ 52.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

Analyze N-cyclopropyl-1-[4-(ethylcarbamoyl)phenyl]-5-[(E)-2-(1-methyl-1,2,4-triazol-3-yl)ethenyl]triazole-4-carboxamide;N-cyclopropyl-1-[4-(ethylcarbamoyl)phenyl]-5-[(E)-2-(2-methyl-1,2,4-triazol-3-yl)ethenyl]triazole-4-carboxamide with MolForge

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Related Compounds

N-cyclopropyl-1-[4-(ethylcarbamoyl)phenyl]-5-[2-(1-methylpyrazol-4-yl)ethenyl]triazole-4-carboxamide
CID 68515179
N-cyclopropyl-1-[4-(cyclopropylcarbamoyl)phenyl]-5-propyltriazole-4-carboxamide
CID 68513644
N-cyclopropyl-1-[4-(ethylcarbamoyl)phenyl]-5-[[2-(iodomethyl)-3-(trifluoromethyl)phenoxy]methyl]triazole-4-carboxamide
CID 89311644
N-cyclopropyl-1-[4-(3-phenylpropylcarbamoyl)phenyl]-5-propyltriazole-4-carboxamide
CID 68519299
N-cyclopropyl-1-[4-(ethylcarbamoyl)phenyl]triazole-4-carboxamide
CID 68514420
N-cyclopropyl-1-[4-(ethylcarbamoyl)-2-propoxyphenyl]-5-propyltriazole-4-carboxamide
CID 68516322
N-cyclopropyl-5-propyl-1-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]triazole-4-carboxamide
CID 86629791
1-[4-(ethylcarbamoyl)phenyl]-5-(methylsulfanylmethyl)triazole-4-carboxamide
CID 68516925
4-fluoro-3-methyl-N-[4-[2-(2-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]cyclohexyl]benzamide
CID 169412050
4-(cyclohexylcarbamoylamino)-N-ethylbenzamide
CID 17234323
5-ethyl-N-piperidin-4-yl-1-(4-propan-2-yloxyphenyl)triazole-4-carboxamide
CID 119390482
N-cyclohexyl-1-[4-(difluoromethoxy)phenyl]-5-ethyltriazole-4-carboxamide
CID 16654299

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-[4-(ethylcarbamoyl)phenyl]-5-[(E)-2-(1-methyl-1,2,4-triazol-3-yl)ethenyl]triazole-4-carboxamide;N-cyclopropyl-1-[4-(ethylcarbamoyl)phenyl]-5-[(E)-2-(2-methyl-1,2,4-triazol-3-yl)ethenyl]triazole-4-carboxamide?
The IUPAC name of N-cyclopropyl-1-[4-(ethylcarbamoyl)phenyl]-5-[(E)-2-(1-methyl-1,2,4-triazol-3-yl)ethenyl]triazole-4-carboxamide;N-cyclopropyl-1-[4-(ethylcarbamoyl)phenyl]-5-[(E)-2-(2-methyl-1,2,4-triazol-3-yl)ethenyl]triazole-4-carboxamide (CID 160874146) is N-cyclopropyl-1-[4-(ethylcarbamoyl)phenyl]-5-[(E)-2-(1-methyl-1,2,4-triazol-3-yl)ethenyl]triazole-4-carboxamide;N-cyclopropyl-1-[4-(ethylcarbamoyl)phenyl]-5-[(E)-2-(2-methyl-1,2,4-triazol-3-yl)ethenyl]triazole-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-[4-(ethylcarbamoyl)phenyl]-5-[(E)-2-(1-methyl-1,2,4-triazol-3-yl)ethenyl]triazole-4-carboxamide;N-cyclopropyl-1-[4-(ethylcarbamoyl)phenyl]-5-[(E)-2-(2-methyl-1,2,4-triazol-3-yl)ethenyl]triazole-4-carboxamide?
The canonical SMILES for N-cyclopropyl-1-[4-(ethylcarbamoyl)phenyl]-5-[(E)-2-(1-methyl-1,2,4-triazol-3-yl)ethenyl]triazole-4-carboxamide;N-cyclopropyl-1-[4-(ethylcarbamoyl)phenyl]-5-[(E)-2-(2-methyl-1,2,4-triazol-3-yl)ethenyl]triazole-4-carboxamide is CCNC(=O)c1ccc(-n2nnc(C(=O)NC3CC3)c2/C=C/c2ncn(C)n2)cc1.CCNC(=O)c1ccc(-n2nnc(C(=O)NC3CC3)c2/C=C/c2ncnn2C)cc1.
What is the InChIKey of N-cyclopropyl-1-[4-(ethylcarbamoyl)phenyl]-5-[(E)-2-(1-methyl-1,2,4-triazol-3-yl)ethenyl]triazole-4-carboxamide;N-cyclopropyl-1-[4-(ethylcarbamoyl)phenyl]-5-[(E)-2-(2-methyl-1,2,4-triazol-3-yl)ethenyl]triazole-4-carboxamide?
The InChIKey is SMDRHFDWVYNOTQ-YFGZYSTASA-N. The full InChI is InChI=1S/2C20H22N8O2/c1-3-21-19(29)13-4-8-15(9-5-13)28-16(10-11-17-22-12-27(2)25-17)18(24-26-28)20(30)23-14-6-7-14;1-3-21-19(29)13-4-8-15(9-5-13)28-16(10-11-17-22-12-23-27(17)2)18(25-26-28)20(30)24-14-6-7-14/h4-5,8-12,14H,3,6-7H2,1-2H3,(H,21,29)(H,23,30);4-5,8-12,14H,3,6-7H2,1-2H3,(H,21,29)(H,24,30)/b2*11-10+.
What are the key properties of N-cyclopropyl-1-[4-(ethylcarbamoyl)phenyl]-5-[(E)-2-(1-methyl-1,2,4-triazol-3-yl)ethenyl]triazole-4-carboxamide;N-cyclopropyl-1-[4-(ethylcarbamoyl)phenyl]-5-[(E)-2-(2-methyl-1,2,4-triazol-3-yl)ethenyl]triazole-4-carboxamide?
N-cyclopropyl-1-[4-(ethylcarbamoyl)phenyl]-5-[(E)-2-(1-methyl-1,2,4-triazol-3-yl)ethenyl]triazole-4-carboxamide;N-cyclopropyl-1-[4-(ethylcarbamoyl)phenyl]-5-[(E)-2-(2-methyl-1,2,4-triazol-3-yl)ethenyl]triazole-4-carboxamide has a molecular weight of 812.90 g/mol, XLogP of 2.42, 14 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-[4-(ethylcarbamoyl)phenyl]-5-[(E)-2-(1-methyl-1,2,4-triazol-3-yl)ethenyl]triazole-4-carboxamide;N-cyclopropyl-1-[4-(ethylcarbamoyl)phenyl]-5-[(E)-2-(2-methyl-1,2,4-triazol-3-yl)ethenyl]triazole-4-carboxamide is sourced from PubChem (CID 160874146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).