N,N-bis(pyridin-3-ylmethyl)-1-benzofuran-3-carboxamide

C21H17N3O2 — CID 77094774

IUPACN,N-bis(pyridin-3-ylmethyl)-1-benzofuran-3-carboxamide
SMILESO=C(c1coc2ccccc12)N(Cc1cccnc1)Cc1cccnc1
InChIInChI=1S/C21H17N3O2/c25-21(19-15-26-20-8-2-1-7-18(19)20)24(13-16-5-3-9-22-11-16)14-17-6-4-10-23-12-17/h1-12,15H,13-14H2
InChIKeyBYPJOUSEQVQIBZ-UHFFFAOYSA-N
MW343.39 g/mol
LogP4.07
Rot. Bonds5

About N,N-bis(pyridin-3-ylmethyl)-1-benzofuran-3-carboxamide

N,N-bis(pyridin-3-ylmethyl)-1-benzofuran-3-carboxamide (PubChem CID 77094774) has the molecular formula C21H17N3O2 and a molecular weight of 343.39 g/mol. Its IUPAC name is N,N-bis(pyridin-3-ylmethyl)-1-benzofuran-3-carboxamide.

Molecular Properties

Compound NameN,N-bis(pyridin-3-ylmethyl)-1-benzofuran-3-carboxamide
PubChem CID77094774
Molecular FormulaC21H17N3O2
Molecular Weight343.39 g/mol
Exact Mass343.13
IUPAC NameN,N-bis(pyridin-3-ylmethyl)-1-benzofuran-3-carboxamide
SMILESO=C(c1coc2ccccc12)N(Cc1cccnc1)Cc1cccnc1
InChIInChI=1S/C21H17N3O2/c25-21(19-15-26-20-8-2-1-7-18(19)20)24(13-16-5-3-9-22-11-16)14-17-6-4-10-23-12-17/h1-12,15H,13-14H2
InChIKeyBYPJOUSEQVQIBZ-UHFFFAOYSA-N
XLogP4.07
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-oxo-N-[(2-phenylphenyl)methyl]-N-(pyridin-4-ylmethyl)chromene-3-carboxamide
CID 42786030
1-benzyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)indole-3-carboxamide
CID 78820157
N-(1H-imidazol-5-ylmethyl)-4-oxo-N-[(4-phenylphenyl)methyl]chromene-3-carboxamide
CID 42786027
N-ethyl-N-prop-2-ynyl-1-benzofuran-3-carboxamide
CID 78959159
2-[acetyl(pyridin-3-ylmethyl)amino]-N-(pyridin-3-ylmethyl)acetamide
CID 113163586
N-[(4-phenylphenyl)methyl]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 42796236
2-amino-N-propyl-N-(pyridin-3-ylmethyl)benzamide
CID 89323235
2-[[benzyl(pyridin-3-ylmethyl)carbamothioyl]amino]-N-(pyridin-3-ylmethyl)acetamide
CID 5128594
N-(pyridin-2-ylmethyl)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 102199988
3-[[cycloheptyl(pyridin-3-ylmethyl)amino]methyl]chromen-4-one
CID 46986789
N-[(4-fluorophenyl)methyl]-3-(propanoylamino)-N-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxamide
CID 20926096
N-benzyl-2-methyl-N-(pyridin-3-ylmethyl)-1,8-naphthyridine-3-carboxamide
CID 171678671

Frequently Asked Questions

What is the IUPAC name of N,N-bis(pyridin-3-ylmethyl)-1-benzofuran-3-carboxamide?
The IUPAC name of N,N-bis(pyridin-3-ylmethyl)-1-benzofuran-3-carboxamide (CID 77094774) is N,N-bis(pyridin-3-ylmethyl)-1-benzofuran-3-carboxamide.
What is the SMILES notation for N,N-bis(pyridin-3-ylmethyl)-1-benzofuran-3-carboxamide?
The canonical SMILES for N,N-bis(pyridin-3-ylmethyl)-1-benzofuran-3-carboxamide is O=C(c1coc2ccccc12)N(Cc1cccnc1)Cc1cccnc1.
What is the InChIKey of N,N-bis(pyridin-3-ylmethyl)-1-benzofuran-3-carboxamide?
The InChIKey is BYPJOUSEQVQIBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O2/c25-21(19-15-26-20-8-2-1-7-18(19)20)24(13-16-5-3-9-22-11-16)14-17-6-4-10-23-12-17/h1-12,15H,13-14H2.
What are the key properties of N,N-bis(pyridin-3-ylmethyl)-1-benzofuran-3-carboxamide?
N,N-bis(pyridin-3-ylmethyl)-1-benzofuran-3-carboxamide has a molecular weight of 343.39 g/mol, XLogP of 4.07, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(pyridin-3-ylmethyl)-1-benzofuran-3-carboxamide is sourced from PubChem (CID 77094774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).