6-methoxy-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-2H-chromene-3-carboxamide

C21H20N4O3 — CID 167953925

IUPAC6-methoxy-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-2H-chromene-3-carboxamide
SMILESCOc1ccc2c(c1)C=C(C(=O)NCc1ccc(Cn3cncn3)cc1)CO2
InChIInChI=1S/C21H20N4O3/c1-27-19-6-7-20-17(9-19)8-18(12-28-20)21(26)23-10-15-2-4-16(5-3-15)11-25-14-22-13-24-25/h2-9,13-14H,10-12H2,1H3,(H,23,26)
InChIKeyJHDQZXRLOZLUMJ-UHFFFAOYSA-N
MW376.42 g/mol
LogP2.43
Rot. Bonds6

About 6-methoxy-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-2H-chromene-3-carboxamide

6-methoxy-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-2H-chromene-3-carboxamide (PubChem CID 167953925) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is 6-methoxy-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name6-methoxy-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-2H-chromene-3-carboxamide
PubChem CID167953925
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC Name6-methoxy-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-2H-chromene-3-carboxamide
SMILESCOc1ccc2c(c1)C=C(C(=O)NCc1ccc(Cn3cncn3)cc1)CO2
InChIInChI=1S/C21H20N4O3/c1-27-19-6-7-20-17(9-19)8-18(12-28-20)21(26)23-10-15-2-4-16(5-3-15)11-25-14-22-13-24-25/h2-9,13-14H,10-12H2,1H3,(H,23,26)
InChIKeyJHDQZXRLOZLUMJ-UHFFFAOYSA-N
XLogP2.43
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-chlorophenyl)methyl]-6-methoxy-2H-chromene-3-carboxamide
CID 1478817
N-[(3-fluorophenyl)methyl]-6-methoxy-2H-chromene-3-carboxamide
CID 22578403
N-[(2,5-dimethoxyphenyl)methyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 33106422
5-chloro-2-methoxy-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide
CID 18126602
N-[(3-methoxyphenyl)methyl]-2H-chromene-3-carboxamide
CID 9456326
N-[(2R)-2-(ethylamino)propyl]-6-methoxy-2H-chromene-3-carboxamide
CID 120654267
N-[(4-hydroxypyrrolidin-3-yl)methyl]-6-methoxy-2H-chromene-3-carboxamide
CID 120947707
2-(2,5-dimethoxyphenyl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide
CID 78860159
6-methoxy-N-(2-piperazin-1-ylethyl)-2H-chromene-3-carboxamide;hydrochloride
CID 119446270
2-methyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]furan-3-carboxamide
CID 18132456
2-hydroxy-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide
CID 18132348
[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 4-(1,2,4-triazol-1-ylmethyl)benzoate
CID 18141819

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-2H-chromene-3-carboxamide?
The IUPAC name of 6-methoxy-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-2H-chromene-3-carboxamide (CID 167953925) is 6-methoxy-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-2H-chromene-3-carboxamide.
What is the SMILES notation for 6-methoxy-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-2H-chromene-3-carboxamide?
The canonical SMILES for 6-methoxy-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-2H-chromene-3-carboxamide is COc1ccc2c(c1)C=C(C(=O)NCc1ccc(Cn3cncn3)cc1)CO2.
What is the InChIKey of 6-methoxy-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-2H-chromene-3-carboxamide?
The InChIKey is JHDQZXRLOZLUMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3/c1-27-19-6-7-20-17(9-19)8-18(12-28-20)21(26)23-10-15-2-4-16(5-3-15)11-25-14-22-13-24-25/h2-9,13-14H,10-12H2,1H3,(H,23,26).
What are the key properties of 6-methoxy-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-2H-chromene-3-carboxamide?
6-methoxy-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-2H-chromene-3-carboxamide has a molecular weight of 376.42 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-2H-chromene-3-carboxamide is sourced from PubChem (CID 167953925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).