N-(4-methoxy-1-bicyclo[2.2.1]heptanyl)-5-methyl-1-(3-methylphenyl)triazole-4-carboxamide

C19H24N4O2 — CID 166286786

IUPACN-(4-methoxy-1-bicyclo[2.2.1]heptanyl)-5-methyl-1-(3-methylphenyl)triazole-4-carboxamide
SMILESCOC12CCC(NC(=O)c3nnn(-c4cccc(C)c4)c3C)(CC1)C2
InChIInChI=1S/C19H24N4O2/c1-13-5-4-6-15(11-13)23-14(2)16(21-22-23)17(24)20-18-7-9-19(12-18,25-3)10-8-18/h4-6,11H,7-10,12H2,1-3H3,(H,20,24)
InChIKeyANLXFDDDUHEDEA-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.72
Rot. Bonds4

About N-(4-methoxy-1-bicyclo[2.2.1]heptanyl)-5-methyl-1-(3-methylphenyl)triazole-4-carboxamide

N-(4-methoxy-1-bicyclo[2.2.1]heptanyl)-5-methyl-1-(3-methylphenyl)triazole-4-carboxamide (PubChem CID 166286786) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is N-(4-methoxy-1-bicyclo[2.2.1]heptanyl)-5-methyl-1-(3-methylphenyl)triazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-methoxy-1-bicyclo[2.2.1]heptanyl)-5-methyl-1-(3-methylphenyl)triazole-4-carboxamide
PubChem CID166286786
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC NameN-(4-methoxy-1-bicyclo[2.2.1]heptanyl)-5-methyl-1-(3-methylphenyl)triazole-4-carboxamide
SMILESCOC12CCC(NC(=O)c3nnn(-c4cccc(C)c4)c3C)(CC1)C2
InChIInChI=1S/C19H24N4O2/c1-13-5-4-6-15(11-13)23-14(2)16(21-22-23)17(24)20-18-7-9-19(12-18,25-3)10-8-18/h4-6,11H,7-10,12H2,1-3H3,(H,20,24)
InChIKeyANLXFDDDUHEDEA-UHFFFAOYSA-N
XLogP2.72
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[5-methyl-1-(3-methylphenyl)triazole-4-carbonyl]amino]cycloheptane-1-carboxylic acid
CID 120539004
2-methyl-2-[[5-methyl-1-(3-methylphenyl)triazole-4-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 120546087
(2R)-3-methyl-2-[[5-methyl-1-(3-methylphenyl)triazole-4-carbonyl]amino]butanoic acid
CID 119368322
methyl 5-amino-1-(3-methylphenyl)triazole-4-carboxylate
CID 4912897
5-methyl-1-(3-methylphenyl)-N-(3-oxo-3-piperidin-1-ylpropyl)triazole-4-carboxamide
CID 55881868
(3-methoxyphenyl)-[4-[5-methyl-1-(3-methylphenyl)triazole-4-carbonyl]piperazin-1-yl]methanone
CID 55885758
5-methyl-1-(3-methylphenyl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)triazole-4-carboxamide
CID 55854731
5-methyl-1-(3-methylphenyl)-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]triazole-4-carboxamide
CID 55880779
N-[(4-ethoxy-3-methoxyphenyl)methyl]-5-methyl-1-(3-methylphenyl)triazole-4-carboxamide
CID 55886189
5-methyl-1-(3-methylphenyl)-N-(3-methyl-4-pyrrolidin-1-ylphenyl)triazole-4-carboxamide
CID 55886109
3-methyl-1-[5-methyl-1-(3-methylphenyl)triazole-4-carbonyl]pyrrolidine-3-carboxylic acid
CID 119256946
N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]-5-methyl-1-(3-methylphenyl)triazole-4-carboxamide
CID 55887228

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-1-bicyclo[2.2.1]heptanyl)-5-methyl-1-(3-methylphenyl)triazole-4-carboxamide?
The IUPAC name of N-(4-methoxy-1-bicyclo[2.2.1]heptanyl)-5-methyl-1-(3-methylphenyl)triazole-4-carboxamide (CID 166286786) is N-(4-methoxy-1-bicyclo[2.2.1]heptanyl)-5-methyl-1-(3-methylphenyl)triazole-4-carboxamide.
What is the SMILES notation for N-(4-methoxy-1-bicyclo[2.2.1]heptanyl)-5-methyl-1-(3-methylphenyl)triazole-4-carboxamide?
The canonical SMILES for N-(4-methoxy-1-bicyclo[2.2.1]heptanyl)-5-methyl-1-(3-methylphenyl)triazole-4-carboxamide is COC12CCC(NC(=O)c3nnn(-c4cccc(C)c4)c3C)(CC1)C2.
What is the InChIKey of N-(4-methoxy-1-bicyclo[2.2.1]heptanyl)-5-methyl-1-(3-methylphenyl)triazole-4-carboxamide?
The InChIKey is ANLXFDDDUHEDEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-13-5-4-6-15(11-13)23-14(2)16(21-22-23)17(24)20-18-7-9-19(12-18,25-3)10-8-18/h4-6,11H,7-10,12H2,1-3H3,(H,20,24).
What are the key properties of N-(4-methoxy-1-bicyclo[2.2.1]heptanyl)-5-methyl-1-(3-methylphenyl)triazole-4-carboxamide?
N-(4-methoxy-1-bicyclo[2.2.1]heptanyl)-5-methyl-1-(3-methylphenyl)triazole-4-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-1-bicyclo[2.2.1]heptanyl)-5-methyl-1-(3-methylphenyl)triazole-4-carboxamide is sourced from PubChem (CID 166286786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).