N-propan-2-yl-N-[(3-pyridin-3-ylphenyl)methyl]-1-benzofuran-2-carboxamide

C24H22N2O2 — CID 162670771

IUPACN-propan-2-yl-N-[(3-pyridin-3-ylphenyl)methyl]-1-benzofuran-2-carboxamide
SMILESCC(C)N(Cc1cccc(-c2cccnc2)c1)C(=O)c1cc2ccccc2o1
InChIInChI=1S/C24H22N2O2/c1-17(2)26(24(27)23-14-20-8-3-4-11-22(20)28-23)16-18-7-5-9-19(13-18)21-10-6-12-25-15-21/h3-15,17H,16H2,1-2H3
InChIKeyRPDXPDRLKFNUBC-UHFFFAOYSA-N
MW370.45 g/mol
LogP5.55
Rot. Bonds5

About N-propan-2-yl-N-[(3-pyridin-3-ylphenyl)methyl]-1-benzofuran-2-carboxamide

N-propan-2-yl-N-[(3-pyridin-3-ylphenyl)methyl]-1-benzofuran-2-carboxamide (PubChem CID 162670771) has the molecular formula C24H22N2O2 and a molecular weight of 370.45 g/mol. Its IUPAC name is N-propan-2-yl-N-[(3-pyridin-3-ylphenyl)methyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-N-[(3-pyridin-3-ylphenyl)methyl]-1-benzofuran-2-carboxamide
PubChem CID162670771
Molecular FormulaC24H22N2O2
Molecular Weight370.45 g/mol
Exact Mass370.17
IUPAC NameN-propan-2-yl-N-[(3-pyridin-3-ylphenyl)methyl]-1-benzofuran-2-carboxamide
SMILESCC(C)N(Cc1cccc(-c2cccnc2)c1)C(=O)c1cc2ccccc2o1
InChIInChI=1S/C24H22N2O2/c1-17(2)26(24(27)23-14-20-8-3-4-11-22(20)28-23)16-18-7-5-9-19(13-18)21-10-6-12-25-15-21/h3-15,17H,16H2,1-2H3
InChIKeyRPDXPDRLKFNUBC-UHFFFAOYSA-N
XLogP5.55
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.45
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Bradanicline
CID 25147644
N-[(3R)-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]-1-benzofuran-2-carboxamide
CID 71463351
1-Oxo-1-[5-(2-pyridyl)oxazol-2-yl]-7-(2-methoxyphenyl)heptane
CID 16736927
Furan-2-carboxamide deriv., 24
CID 44236907
Benzofuran-2-carboxylic acid ((2R,3R)-2-pyridin-3-ylmethyl-1-aza-bicyclo[2.2.2]oct-3-yl)-amide
CID 44225415
4-{[6-(2-{2-[(2R)-methylpyrrolidinyl]ethyl}-1-benzofuran-5-yl)-3-pyridinyl]carbonyl}morpholine
CID 44374493
N,N-dimethyl-7-(4-(2-(pyridin-2-yl)ethyl)piperazin-1-yl)benzofuran-2-carboxamide
CID 49848635
2-[2-[(3-aminoazetidin-1-yl)-pyridin-4-ylmethyl]-1-benzofuran-5-yl]-N-[(S)-(2,4-dimethylphenyl)-phenylmethyl]acetamide
CID 71251176
1-(3-Methyl-benzofuran-2-carbonyl)-3-(3-methyl-pyridin-2-yl)-thiourea
CID 741781
N-(2-chloropyridin-3-yl)-1-benzofuran-2-carboxamide
CID 1945906
3-(2,3-Dihydro-benzofuran-5-yl)-2-(5-pyridin-3-yl-furan-2-carbonyl)-1,2,3,4-tetrahydro-pyrrolo[3,4-b]quinolin-9-one
CID 11754694
10-(1-Benzofuran-2-carbonyl)-3-methyl-5,10-diazatetracyclo[7.4.0.01,12.02,6]trideca-2(6),3,8-trien-7-one
CID 13996310

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-N-[(3-pyridin-3-ylphenyl)methyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-propan-2-yl-N-[(3-pyridin-3-ylphenyl)methyl]-1-benzofuran-2-carboxamide (CID 162670771) is N-propan-2-yl-N-[(3-pyridin-3-ylphenyl)methyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-propan-2-yl-N-[(3-pyridin-3-ylphenyl)methyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-propan-2-yl-N-[(3-pyridin-3-ylphenyl)methyl]-1-benzofuran-2-carboxamide is CC(C)N(Cc1cccc(-c2cccnc2)c1)C(=O)c1cc2ccccc2o1.
What is the InChIKey of N-propan-2-yl-N-[(3-pyridin-3-ylphenyl)methyl]-1-benzofuran-2-carboxamide?
The InChIKey is RPDXPDRLKFNUBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O2/c1-17(2)26(24(27)23-14-20-8-3-4-11-22(20)28-23)16-18-7-5-9-19(13-18)21-10-6-12-25-15-21/h3-15,17H,16H2,1-2H3.
What are the key properties of N-propan-2-yl-N-[(3-pyridin-3-ylphenyl)methyl]-1-benzofuran-2-carboxamide?
N-propan-2-yl-N-[(3-pyridin-3-ylphenyl)methyl]-1-benzofuran-2-carboxamide has a molecular weight of 370.45 g/mol, XLogP of 5.55, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-N-[(3-pyridin-3-ylphenyl)methyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 162670771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).