1-(2-methoxyphenyl)-5-methyl-N-[(2-phenoxy-4-pyridinyl)methyl]triazole-4-carboxamide

C23H21N5O3 — CID 47036917

IUPAC1-(2-methoxyphenyl)-5-methyl-N-[(2-phenoxy-4-pyridinyl)methyl]triazole-4-carboxamide
SMILESCOc1ccccc1-n1nnc(C(=O)NCc2ccnc(Oc3ccccc3)c2)c1C
InChIInChI=1S/C23H21N5O3/c1-16-22(26-27-28(16)19-10-6-7-11-20(19)30-2)23(29)25-15-17-12-13-24-21(14-17)31-18-8-4-3-5-9-18/h3-14H,15H2,1-2H3,(H,25,29)
InChIKeyVDVPTLSNYNSTHB-UHFFFAOYSA-N
MW415.45 g/mol
LogP3.70
Rot. Bonds7

About 1-(2-methoxyphenyl)-5-methyl-N-[(2-phenoxy-4-pyridinyl)methyl]triazole-4-carboxamide

1-(2-methoxyphenyl)-5-methyl-N-[(2-phenoxy-4-pyridinyl)methyl]triazole-4-carboxamide (PubChem CID 47036917) has the molecular formula C23H21N5O3 and a molecular weight of 415.45 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-5-methyl-N-[(2-phenoxy-4-pyridinyl)methyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-5-methyl-N-[(2-phenoxy-4-pyridinyl)methyl]triazole-4-carboxamide
PubChem CID47036917
Molecular FormulaC23H21N5O3
Molecular Weight415.45 g/mol
Exact Mass415.16
IUPAC Name1-(2-methoxyphenyl)-5-methyl-N-[(2-phenoxy-4-pyridinyl)methyl]triazole-4-carboxamide
SMILESCOc1ccccc1-n1nnc(C(=O)NCc2ccnc(Oc3ccccc3)c2)c1C
InChIInChI=1S/C23H21N5O3/c1-16-22(26-27-28(16)19-10-6-7-11-20(19)30-2)23(29)25-15-17-12-13-24-21(14-17)31-18-8-4-3-5-9-18/h3-14H,15H2,1-2H3,(H,25,29)
InChIKeyVDVPTLSNYNSTHB-UHFFFAOYSA-N
XLogP3.70
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-5-methyl-1-(3-nitrophenyl)triazole-4-carboxamide
CID 55886933
N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-3,5-dimethoxy-4-methylbenzamide
CID 55887692
1-(5-chloro-2-methoxyphenyl)-N-[(4-fluorophenyl)methyl]-5-methyltriazole-4-carboxamide
CID 46857970
1-(2-methoxyphenyl)-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)triazole-4-carboxamide
CID 6493801
1-(3-methoxyphenyl)-5-methyl-N-[(2-phenylmethoxyphenyl)methyl]triazole-4-carboxamide
CID 55806463
1-(2-methoxyphenyl)-5-methyl-N-[(1S)-1-(3-propan-2-yloxyphenyl)ethyl]triazole-4-carboxamide
CID 51950141
N-[3-[(1R)-1-hydroxyethyl]phenyl]-1-(2-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 27261932
N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 55888338
N-[[2-(3,4-dimethylphenoxy)-4-pyridinyl]methyl]-1H-indazole-3-carboxamide
CID 99519272
1-(4-bromophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-5-methyltriazole-4-carboxamide
CID 46858211
1-(7-chloroquinolin-4-yl)-N-[(4-methoxyphenyl)methyl]-5-methyltriazole-4-carboxamide
CID 162624532
4-methoxy-N-[(2-methoxy-4-pyridinyl)methyl]naphthalene-1-carboxamide
CID 18277956

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-5-methyl-N-[(2-phenoxy-4-pyridinyl)methyl]triazole-4-carboxamide?
The IUPAC name of 1-(2-methoxyphenyl)-5-methyl-N-[(2-phenoxy-4-pyridinyl)methyl]triazole-4-carboxamide (CID 47036917) is 1-(2-methoxyphenyl)-5-methyl-N-[(2-phenoxy-4-pyridinyl)methyl]triazole-4-carboxamide.
What is the SMILES notation for 1-(2-methoxyphenyl)-5-methyl-N-[(2-phenoxy-4-pyridinyl)methyl]triazole-4-carboxamide?
The canonical SMILES for 1-(2-methoxyphenyl)-5-methyl-N-[(2-phenoxy-4-pyridinyl)methyl]triazole-4-carboxamide is COc1ccccc1-n1nnc(C(=O)NCc2ccnc(Oc3ccccc3)c2)c1C.
What is the InChIKey of 1-(2-methoxyphenyl)-5-methyl-N-[(2-phenoxy-4-pyridinyl)methyl]triazole-4-carboxamide?
The InChIKey is VDVPTLSNYNSTHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O3/c1-16-22(26-27-28(16)19-10-6-7-11-20(19)30-2)23(29)25-15-17-12-13-24-21(14-17)31-18-8-4-3-5-9-18/h3-14H,15H2,1-2H3,(H,25,29).
What are the key properties of 1-(2-methoxyphenyl)-5-methyl-N-[(2-phenoxy-4-pyridinyl)methyl]triazole-4-carboxamide?
1-(2-methoxyphenyl)-5-methyl-N-[(2-phenoxy-4-pyridinyl)methyl]triazole-4-carboxamide has a molecular weight of 415.45 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-5-methyl-N-[(2-phenoxy-4-pyridinyl)methyl]triazole-4-carboxamide is sourced from PubChem (CID 47036917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).