N-(2-aminophenyl)-5-(pyridin-3-ylmethylamino)-1-benzofuran-2-carboxamide

C21H18N4O2 — CID 58930599

IUPACN-(2-aminophenyl)-5-(pyridin-3-ylmethylamino)-1-benzofuran-2-carboxamide
SMILESNc1ccccc1NC(=O)c1cc2cc(NCc3cccnc3)ccc2o1
InChIInChI=1S/C21H18N4O2/c22-17-5-1-2-6-18(17)25-21(26)20-11-15-10-16(7-8-19(15)27-20)24-13-14-4-3-9-23-12-14/h1-12,24H,13,22H2,(H,25,26)
InChIKeyZDVAGASICQLTIE-UHFFFAOYSA-N
MW358.40 g/mol
LogP4.27
Rot. Bonds5

About N-(2-aminophenyl)-5-(pyridin-3-ylmethylamino)-1-benzofuran-2-carboxamide

N-(2-aminophenyl)-5-(pyridin-3-ylmethylamino)-1-benzofuran-2-carboxamide (PubChem CID 58930599) has the molecular formula C21H18N4O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is N-(2-aminophenyl)-5-(pyridin-3-ylmethylamino)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-5-(pyridin-3-ylmethylamino)-1-benzofuran-2-carboxamide
PubChem CID58930599
Molecular FormulaC21H18N4O2
Molecular Weight358.40 g/mol
Exact Mass358.14
IUPAC NameN-(2-aminophenyl)-5-(pyridin-3-ylmethylamino)-1-benzofuran-2-carboxamide
SMILESNc1ccccc1NC(=O)c1cc2cc(NCc3cccnc3)ccc2o1
InChIInChI=1S/C21H18N4O2/c22-17-5-1-2-6-18(17)25-21(26)20-11-15-10-16(7-8-19(15)27-20)24-13-14-4-3-9-23-12-14/h1-12,24H,13,22H2,(H,25,26)
InChIKeyZDVAGASICQLTIE-UHFFFAOYSA-N
XLogP4.27
TPSA93.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 54.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminophenyl)-5-[(3-methoxyphenyl)methylamino]-1-benzofuran-2-carboxamide
CID 58930472
2-N-(pyridin-3-ylmethyl)benzene-1,2-diamine
CID 22184587
1-(2-aminophenyl)-3-(pyridin-3-ylmethyl)urea
CID 67416886
N-(2-aminophenyl)-4-[[[1,3-dioxo-2-(pyridin-3-ylmethyl)isoindol-5-yl]amino]methyl]benzamide
CID 58930493
N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]furo[2,3-c]pyridine-2-carboxamide
CID 22668169
N-(2-aminophenyl)-4-[[[4-chloro-6-(pyridin-3-ylmethylamino)pyrimidin-2-yl]amino]methyl]benzamide
CID 20786083
N-[1-oxo-2-(pyridin-3-ylmethyl)isoquinolin-5-yl]-1-benzofuran-2-carboxamide
CID 59579507
N-(2,4-dichlorophenyl)-5-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109191437
5-methyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]-1-benzofuran-2-carboxamide
CID 55929053
N-phenyl-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109213139
N-(2-aminophenyl)-4-(4-pyridin-3-ylbutanoylamino)benzamide
CID 22668144
[2-amino-4-(pyridin-3-ylmethylamino)phenyl] acetate
CID 57138874

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-5-(pyridin-3-ylmethylamino)-1-benzofuran-2-carboxamide?
The IUPAC name of N-(2-aminophenyl)-5-(pyridin-3-ylmethylamino)-1-benzofuran-2-carboxamide (CID 58930599) is N-(2-aminophenyl)-5-(pyridin-3-ylmethylamino)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(2-aminophenyl)-5-(pyridin-3-ylmethylamino)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(2-aminophenyl)-5-(pyridin-3-ylmethylamino)-1-benzofuran-2-carboxamide is Nc1ccccc1NC(=O)c1cc2cc(NCc3cccnc3)ccc2o1.
What is the InChIKey of N-(2-aminophenyl)-5-(pyridin-3-ylmethylamino)-1-benzofuran-2-carboxamide?
The InChIKey is ZDVAGASICQLTIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2/c22-17-5-1-2-6-18(17)25-21(26)20-11-15-10-16(7-8-19(15)27-20)24-13-14-4-3-9-23-12-14/h1-12,24H,13,22H2,(H,25,26).
What are the key properties of N-(2-aminophenyl)-5-(pyridin-3-ylmethylamino)-1-benzofuran-2-carboxamide?
N-(2-aminophenyl)-5-(pyridin-3-ylmethylamino)-1-benzofuran-2-carboxamide has a molecular weight of 358.40 g/mol, XLogP of 4.27, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-5-(pyridin-3-ylmethylamino)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 58930599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).