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

C19H24ClN5O2 — CID 154902247

IUPACN-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-1-benzofuran-3-carboxamide;hydrochloride
SMILESCN(C)Cc1nnc(C2CC(NC(=O)c3coc4ccccc34)C2)n1C.Cl
InChIInChI=1S/C19H23N5O2.ClH/c1-23(2)10-17-21-22-18(24(17)3)12-8-13(9-12)20-19(25)15-11-26-16-7-5-4-6-14(15)16;/h4-7,11-13H,8-10H2,1-3H3,(H,20,25);1H
InChIKeyWEJFVPGMIICTMB-UHFFFAOYSA-N
MW389.89 g/mol
LogP2.72
Rot. Bonds5

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

N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-1-benzofuran-3-carboxamide;hydrochloride (PubChem CID 154902247) has the molecular formula C19H24ClN5O2 and a molecular weight of 389.89 g/mol. Its IUPAC name is N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-1-benzofuran-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-1-benzofuran-3-carboxamide;hydrochloride
PubChem CID154902247
Molecular FormulaC19H24ClN5O2
Molecular Weight389.89 g/mol
Exact Mass389.16
IUPAC NameN-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-1-benzofuran-3-carboxamide;hydrochloride
SMILESCN(C)Cc1nnc(C2CC(NC(=O)c3coc4ccccc34)C2)n1C.Cl
InChIInChI=1S/C19H23N5O2.ClH/c1-23(2)10-17-21-22-18(24(17)3)12-8-13(9-12)20-19(25)15-11-26-16-7-5-4-6-14(15)16;/h4-7,11-13H,8-10H2,1-3H3,(H,20,25);1H
InChIKeyWEJFVPGMIICTMB-UHFFFAOYSA-N
XLogP2.72
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.89
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1,2-benzoxazol-3-yl)-N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]acetamide
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N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-2-ethoxybenzamide
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N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-2-(1H-1,2,4-triazol-5-yl)benzamide
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CID 154903589
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CID 154902517
N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-4-methylpiperazine-1-carboxamide
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N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-1-ethyl-3,5-dimethylpyrazole-4-carboxamide
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(2R)-N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]oxolane-2-carboxamide
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N-(2-methylpiperidin-4-yl)-1-benzofuran-3-carboxamide;hydrochloride
CID 120602513
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2-(5-acetylthiophen-3-yl)-N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-1-benzofuran-3-carboxamide;hydrochloride?
The IUPAC name of N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-1-benzofuran-3-carboxamide;hydrochloride (CID 154902247) is N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-1-benzofuran-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-1-benzofuran-3-carboxamide;hydrochloride?
The canonical SMILES for N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-1-benzofuran-3-carboxamide;hydrochloride is CN(C)Cc1nnc(C2CC(NC(=O)c3coc4ccccc34)C2)n1C.Cl.
What is the InChIKey of N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-1-benzofuran-3-carboxamide;hydrochloride?
The InChIKey is WEJFVPGMIICTMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2.ClH/c1-23(2)10-17-21-22-18(24(17)3)12-8-13(9-12)20-19(25)15-11-26-16-7-5-4-6-14(15)16;/h4-7,11-13H,8-10H2,1-3H3,(H,20,25);1H.
What are the key properties of N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-1-benzofuran-3-carboxamide;hydrochloride?
N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-1-benzofuran-3-carboxamide;hydrochloride has a molecular weight of 389.89 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-1-benzofuran-3-carboxamide;hydrochloride is sourced from PubChem (CID 154902247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).