1-benzyl-5-(furan-2-carbonylamino)-N-(2-pyridin-2-ylethyl)indole-2-carboxamide

C28H24N4O3 — CID 83278269

IUPAC1-benzyl-5-(furan-2-carbonylamino)-N-(2-pyridin-2-ylethyl)indole-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)cc(C(=O)NCCc1ccccn1)n2Cc1ccccc1)c1ccco1
InChIInChI=1S/C28H24N4O3/c33-27(30-15-13-22-9-4-5-14-29-22)25-18-21-17-23(31-28(34)26-10-6-16-35-26)11-12-24(21)32(25)19-20-7-2-1-3-8-20/h1-12,14,16-18H,13,15,19H2,(H,30,33)(H,31,34)
InChIKeyYASXYLVGQVHOQP-UHFFFAOYSA-N
MW464.53 g/mol
LogP4.90
Rot. Bonds8

About 1-benzyl-5-(furan-2-carbonylamino)-N-(2-pyridin-2-ylethyl)indole-2-carboxamide

1-benzyl-5-(furan-2-carbonylamino)-N-(2-pyridin-2-ylethyl)indole-2-carboxamide (PubChem CID 83278269) has the molecular formula C28H24N4O3 and a molecular weight of 464.53 g/mol. Its IUPAC name is 1-benzyl-5-(furan-2-carbonylamino)-N-(2-pyridin-2-ylethyl)indole-2-carboxamide.

Molecular Properties

Compound Name1-benzyl-5-(furan-2-carbonylamino)-N-(2-pyridin-2-ylethyl)indole-2-carboxamide
PubChem CID83278269
Molecular FormulaC28H24N4O3
Molecular Weight464.53 g/mol
Exact Mass464.18
IUPAC Name1-benzyl-5-(furan-2-carbonylamino)-N-(2-pyridin-2-ylethyl)indole-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)cc(C(=O)NCCc1ccccn1)n2Cc1ccccc1)c1ccco1
InChIInChI=1S/C28H24N4O3/c33-27(30-15-13-22-9-4-5-14-29-22)25-18-21-17-23(31-28(34)26-10-6-16-35-26)11-12-24(21)32(25)19-20-7-2-1-3-8-20/h1-12,14,16-18H,13,15,19H2,(H,30,33)(H,31,34)
InChIKeyYASXYLVGQVHOQP-UHFFFAOYSA-N
XLogP4.90
TPSA89.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.53
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-(furan-2-carbonylamino)-N-(2-pyridin-2-ylethyl)indole-2-carboxamide?
The IUPAC name of 1-benzyl-5-(furan-2-carbonylamino)-N-(2-pyridin-2-ylethyl)indole-2-carboxamide (CID 83278269) is 1-benzyl-5-(furan-2-carbonylamino)-N-(2-pyridin-2-ylethyl)indole-2-carboxamide.
What is the SMILES notation for 1-benzyl-5-(furan-2-carbonylamino)-N-(2-pyridin-2-ylethyl)indole-2-carboxamide?
The canonical SMILES for 1-benzyl-5-(furan-2-carbonylamino)-N-(2-pyridin-2-ylethyl)indole-2-carboxamide is O=C(Nc1ccc2c(c1)cc(C(=O)NCCc1ccccn1)n2Cc1ccccc1)c1ccco1.
What is the InChIKey of 1-benzyl-5-(furan-2-carbonylamino)-N-(2-pyridin-2-ylethyl)indole-2-carboxamide?
The InChIKey is YASXYLVGQVHOQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N4O3/c33-27(30-15-13-22-9-4-5-14-29-22)25-18-21-17-23(31-28(34)26-10-6-16-35-26)11-12-24(21)32(25)19-20-7-2-1-3-8-20/h1-12,14,16-18H,13,15,19H2,(H,30,33)(H,31,34).
What are the key properties of 1-benzyl-5-(furan-2-carbonylamino)-N-(2-pyridin-2-ylethyl)indole-2-carboxamide?
1-benzyl-5-(furan-2-carbonylamino)-N-(2-pyridin-2-ylethyl)indole-2-carboxamide has a molecular weight of 464.53 g/mol, XLogP of 4.90, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-(furan-2-carbonylamino)-N-(2-pyridin-2-ylethyl)indole-2-carboxamide is sourced from PubChem (CID 83278269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).