5-methyl-1-(3-methylphenyl)-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]triazole-4-carboxamide

C20H23N5O2 — CID 55880779

IUPAC5-methyl-1-(3-methylphenyl)-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]triazole-4-carboxamide
SMILESCc1cccc(-n2nnc(C(=O)NCc3ccc(OC(C)C)nc3)c2C)c1
InChIInChI=1S/C20H23N5O2/c1-13(2)27-18-9-8-16(11-21-18)12-22-20(26)19-15(4)25(24-23-19)17-7-5-6-14(3)10-17/h5-11,13H,12H2,1-4H3,(H,22,26)
InChIKeyJYXGXIHQVVHKEL-UHFFFAOYSA-N
MW365.44 g/mol
LogP3.00
Rot. Bonds6

About 5-methyl-1-(3-methylphenyl)-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]triazole-4-carboxamide

5-methyl-1-(3-methylphenyl)-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]triazole-4-carboxamide (PubChem CID 55880779) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 5-methyl-1-(3-methylphenyl)-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]triazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-1-(3-methylphenyl)-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]triazole-4-carboxamide
PubChem CID55880779
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name5-methyl-1-(3-methylphenyl)-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]triazole-4-carboxamide
SMILESCc1cccc(-n2nnc(C(=O)NCc3ccc(OC(C)C)nc3)c2C)c1
InChIInChI=1S/C20H23N5O2/c1-13(2)27-18-9-8-16(11-21-18)12-22-20(26)19-15(4)25(24-23-19)17-7-5-6-14(3)10-17/h5-11,13H,12H2,1-4H3,(H,22,26)
InChIKeyJYXGXIHQVVHKEL-UHFFFAOYSA-N
XLogP3.00
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-methyl-1-(3-methylphenyl)-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]triazole-4-carboxamide with MolForge

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Related Compounds

N-[(4-ethoxy-3-methoxyphenyl)methyl]-5-methyl-1-(3-methylphenyl)triazole-4-carboxamide
CID 55886189
N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-5-methyl-1-(3-nitrophenyl)triazole-4-carboxamide
CID 55802000
5-methyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-1-(3-methylphenyl)triazole-4-carboxamide
CID 55912886
5-methyl-1-(3-methylphenyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]triazole-4-carboxamide
CID 55857322
5-methyl-1-(3-methylphenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]triazole-4-carboxamide
CID 55856668
5-amino-N-benzyl-1-(3-methylphenyl)triazole-4-carboxamide
CID 3238804
3,4,5-trimethoxy-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]benzamide
CID 47042876
(2R)-3-methyl-2-[[5-methyl-1-(3-methylphenyl)triazole-4-carbonyl]amino]butanoic acid
CID 119368322
5-methyl-1-(3-methylphenyl)-N-(3-quinolin-8-yloxypropyl)triazole-4-carboxamide
CID 56585569
2-(2-amino-2-oxoethyl)sulfanyl-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]benzamide
CID 55747594
1-(4-chlorophenyl)-5-methyl-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]-1,2,4-triazole-3-carboxamide
CID 78881949
1-(4-bromo-3-methylphenyl)-N-[(4-bromophenyl)methyl]-5-methyltriazole-4-carboxamide
CID 46858170

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(3-methylphenyl)-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]triazole-4-carboxamide?
The IUPAC name of 5-methyl-1-(3-methylphenyl)-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]triazole-4-carboxamide (CID 55880779) is 5-methyl-1-(3-methylphenyl)-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]triazole-4-carboxamide.
What is the SMILES notation for 5-methyl-1-(3-methylphenyl)-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]triazole-4-carboxamide?
The canonical SMILES for 5-methyl-1-(3-methylphenyl)-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]triazole-4-carboxamide is Cc1cccc(-n2nnc(C(=O)NCc3ccc(OC(C)C)nc3)c2C)c1.
What is the InChIKey of 5-methyl-1-(3-methylphenyl)-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]triazole-4-carboxamide?
The InChIKey is JYXGXIHQVVHKEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-13(2)27-18-9-8-16(11-21-18)12-22-20(26)19-15(4)25(24-23-19)17-7-5-6-14(3)10-17/h5-11,13H,12H2,1-4H3,(H,22,26).
What are the key properties of 5-methyl-1-(3-methylphenyl)-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]triazole-4-carboxamide?
5-methyl-1-(3-methylphenyl)-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]triazole-4-carboxamide has a molecular weight of 365.44 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(3-methylphenyl)-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]triazole-4-carboxamide is sourced from PubChem (CID 55880779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).