N-[2-(furan-3-carbonylamino)-1-naphthalen-2-ylethyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide

C25H20N4O3 — CID 167864715

IUPACN-[2-(furan-3-carbonylamino)-1-naphthalen-2-ylethyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
SMILESO=C(NCC(NC(=O)c1cncc2[nH]ccc12)c1ccc2ccccc2c1)c1ccoc1
InChIInChI=1S/C25H20N4O3/c30-24(19-8-10-32-15-19)28-14-22(18-6-5-16-3-1-2-4-17(16)11-18)29-25(31)21-12-26-13-23-20(21)7-9-27-23/h1-13,15,22,27H,14H2,(H,28,30)(H,29,31)
InChIKeyQBQSUISHXJQUSY-UHFFFAOYSA-N
MW424.46 g/mol
LogP4.21
Rot. Bonds6

About N-[2-(furan-3-carbonylamino)-1-naphthalen-2-ylethyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide

N-[2-(furan-3-carbonylamino)-1-naphthalen-2-ylethyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide (PubChem CID 167864715) has the molecular formula C25H20N4O3 and a molecular weight of 424.46 g/mol. Its IUPAC name is N-[2-(furan-3-carbonylamino)-1-naphthalen-2-ylethyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(furan-3-carbonylamino)-1-naphthalen-2-ylethyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
PubChem CID167864715
Molecular FormulaC25H20N4O3
Molecular Weight424.46 g/mol
Exact Mass424.15
IUPAC NameN-[2-(furan-3-carbonylamino)-1-naphthalen-2-ylethyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
SMILESO=C(NCC(NC(=O)c1cncc2[nH]ccc12)c1ccc2ccccc2c1)c1ccoc1
InChIInChI=1S/C25H20N4O3/c30-24(19-8-10-32-15-19)28-14-22(18-6-5-16-3-1-2-4-17(16)11-18)29-25(31)21-12-26-13-23-20(21)7-9-27-23/h1-13,15,22,27H,14H2,(H,28,30)(H,29,31)
InChIKeyQBQSUISHXJQUSY-UHFFFAOYSA-N
XLogP4.21
TPSA100.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.46
LogP ≤ 54.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-3-carbonylamino)-1-naphthalen-2-ylethyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
The IUPAC name of N-[2-(furan-3-carbonylamino)-1-naphthalen-2-ylethyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide (CID 167864715) is N-[2-(furan-3-carbonylamino)-1-naphthalen-2-ylethyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-(furan-3-carbonylamino)-1-naphthalen-2-ylethyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
The canonical SMILES for N-[2-(furan-3-carbonylamino)-1-naphthalen-2-ylethyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide is O=C(NCC(NC(=O)c1cncc2[nH]ccc12)c1ccc2ccccc2c1)c1ccoc1.
What is the InChIKey of N-[2-(furan-3-carbonylamino)-1-naphthalen-2-ylethyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
The InChIKey is QBQSUISHXJQUSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O3/c30-24(19-8-10-32-15-19)28-14-22(18-6-5-16-3-1-2-4-17(16)11-18)29-25(31)21-12-26-13-23-20(21)7-9-27-23/h1-13,15,22,27H,14H2,(H,28,30)(H,29,31).
What are the key properties of N-[2-(furan-3-carbonylamino)-1-naphthalen-2-ylethyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
N-[2-(furan-3-carbonylamino)-1-naphthalen-2-ylethyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide has a molecular weight of 424.46 g/mol, XLogP of 4.21, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-3-carbonylamino)-1-naphthalen-2-ylethyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide is sourced from PubChem (CID 167864715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).