3-[(dimethylamino)methyl]-N-(5-methyl-1H-1,2,4-triazol-3-yl)-1-benzofuran-2-carboxamide

C15H17N5O2 — CID 71990798

IUPAC3-[(dimethylamino)methyl]-N-(5-methyl-1H-1,2,4-triazol-3-yl)-1-benzofuran-2-carboxamide
SMILESCc1nc(NC(=O)c2oc3ccccc3c2CN(C)C)n[nH]1
InChIInChI=1S/C15H17N5O2/c1-9-16-15(19-18-9)17-14(21)13-11(8-20(2)3)10-6-4-5-7-12(10)22-13/h4-7H,8H2,1-3H3,(H2,16,17,18,19,21)
InChIKeyJMXLRBFNLKZHQB-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.17
Rot. Bonds4

About 3-[(dimethylamino)methyl]-N-(5-methyl-1H-1,2,4-triazol-3-yl)-1-benzofuran-2-carboxamide

3-[(dimethylamino)methyl]-N-(5-methyl-1H-1,2,4-triazol-3-yl)-1-benzofuran-2-carboxamide (PubChem CID 71990798) has the molecular formula C15H17N5O2 and a molecular weight of 299.33 g/mol. Its IUPAC name is 3-[(dimethylamino)methyl]-N-(5-methyl-1H-1,2,4-triazol-3-yl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-[(dimethylamino)methyl]-N-(5-methyl-1H-1,2,4-triazol-3-yl)-1-benzofuran-2-carboxamide
PubChem CID71990798
Molecular FormulaC15H17N5O2
Molecular Weight299.33 g/mol
Exact Mass299.14
IUPAC Name3-[(dimethylamino)methyl]-N-(5-methyl-1H-1,2,4-triazol-3-yl)-1-benzofuran-2-carboxamide
SMILESCc1nc(NC(=O)c2oc3ccccc3c2CN(C)C)n[nH]1
InChIInChI=1S/C15H17N5O2/c1-9-16-15(19-18-9)17-14(21)13-11(8-20(2)3)10-6-4-5-7-12(10)22-13/h4-7H,8H2,1-3H3,(H2,16,17,18,19,21)
InChIKeyJMXLRBFNLKZHQB-UHFFFAOYSA-N
XLogP2.17
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dihydro-1H-isoindol-5-yl)-3-[(dimethylamino)methyl]-1-benzofuran-2-carboxamide
CID 166239486
5-fluoro-3-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)-1-benzofuran-2-carboxamide
CID 78928012
3-[(dimethylamino)methyl]-N-[3-(methylamino)propyl]-1-benzofuran-2-carboxamide
CID 119432397
3-[(dimethylamino)methyl]-N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-benzofuran-2-carboxamide;dihydrochloride
CID 120948162
3-[(dimethylamino)methyl]-N-[(1,5-dimethylpyrrol-2-yl)methyl]-1-benzofuran-2-carboxamide
CID 71991550
ethyl N-[6-[[3-[(dimethylamino)methyl]-1-benzofuran-2-carbonyl]amino]-1,3-benzothiazol-2-yl]carbamate
CID 86950156
3-[(dimethylamino)methyl]-N-piperidin-3-yl-1-benzofuran-2-carboxamide
CID 119427274
3-[(dimethylamino)methyl]-N-[1-(2-methylpyrazol-3-yl)ethyl]-1-benzofuran-2-carboxamide
CID 166250211
3-[(dimethylamino)methyl]-N-[[(1R,2S)-2-hydroxycyclohexyl]methyl]-1-benzofuran-2-carboxamide
CID 95932852
3-[[methyl(2-methylbutan-2-yl)amino]methyl]-1-benzofuran-2-carbohydrazide
CID 63959061
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-3-[(dimethylamino)methyl]-1-benzofuran-2-carboxamide;dihydrochloride
CID 120605130
3-[(dimethylamino)methyl]-N-(piperidin-3-ylmethyl)-1-benzofuran-2-carboxamide;dihydrochloride
CID 119462752

Frequently Asked Questions

What is the IUPAC name of 3-[(dimethylamino)methyl]-N-(5-methyl-1H-1,2,4-triazol-3-yl)-1-benzofuran-2-carboxamide?
The IUPAC name of 3-[(dimethylamino)methyl]-N-(5-methyl-1H-1,2,4-triazol-3-yl)-1-benzofuran-2-carboxamide (CID 71990798) is 3-[(dimethylamino)methyl]-N-(5-methyl-1H-1,2,4-triazol-3-yl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-[(dimethylamino)methyl]-N-(5-methyl-1H-1,2,4-triazol-3-yl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-[(dimethylamino)methyl]-N-(5-methyl-1H-1,2,4-triazol-3-yl)-1-benzofuran-2-carboxamide is Cc1nc(NC(=O)c2oc3ccccc3c2CN(C)C)n[nH]1.
What is the InChIKey of 3-[(dimethylamino)methyl]-N-(5-methyl-1H-1,2,4-triazol-3-yl)-1-benzofuran-2-carboxamide?
The InChIKey is JMXLRBFNLKZHQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2/c1-9-16-15(19-18-9)17-14(21)13-11(8-20(2)3)10-6-4-5-7-12(10)22-13/h4-7H,8H2,1-3H3,(H2,16,17,18,19,21).
What are the key properties of 3-[(dimethylamino)methyl]-N-(5-methyl-1H-1,2,4-triazol-3-yl)-1-benzofuran-2-carboxamide?
3-[(dimethylamino)methyl]-N-(5-methyl-1H-1,2,4-triazol-3-yl)-1-benzofuran-2-carboxamide has a molecular weight of 299.33 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(dimethylamino)methyl]-N-(5-methyl-1H-1,2,4-triazol-3-yl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 71990798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).