N-(2-methoxyethyl)-4-[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-pyridinyl]furo[2,3-b]pyridine-2-carboxamide

C26H24N4O4 — CID 151383060

IUPACN-(2-methoxyethyl)-4-[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-pyridinyl]furo[2,3-b]pyridine-2-carboxamide
SMILESCOCCNC(=O)c1cc2c(-c3cncc(-c4ccc(N5CCCC5=O)cc4)c3)ccnc2o1
InChIInChI=1S/C26H24N4O4/c1-33-12-10-28-25(32)23-14-22-21(8-9-29-26(22)34-23)19-13-18(15-27-16-19)17-4-6-20(7-5-17)30-11-2-3-24(30)31/h4-9,13-16H,2-3,10-12H2,1H3,(H,28,32)
InChIKeyOSVCTFPHGQEAHC-UHFFFAOYSA-N
MW456.50 g/mol
LogP4.06
Rot. Bonds7

About N-(2-methoxyethyl)-4-[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-pyridinyl]furo[2,3-b]pyridine-2-carboxamide

N-(2-methoxyethyl)-4-[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-pyridinyl]furo[2,3-b]pyridine-2-carboxamide (PubChem CID 151383060) has the molecular formula C26H24N4O4 and a molecular weight of 456.50 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-pyridinyl]furo[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-pyridinyl]furo[2,3-b]pyridine-2-carboxamide
PubChem CID151383060
Molecular FormulaC26H24N4O4
Molecular Weight456.50 g/mol
Exact Mass456.18
IUPAC NameN-(2-methoxyethyl)-4-[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-pyridinyl]furo[2,3-b]pyridine-2-carboxamide
SMILESCOCCNC(=O)c1cc2c(-c3cncc(-c4ccc(N5CCCC5=O)cc4)c3)ccnc2o1
InChIInChI=1S/C26H24N4O4/c1-33-12-10-28-25(32)23-14-22-21(8-9-29-26(22)34-23)19-13-18(15-27-16-19)17-4-6-20(7-5-17)30-11-2-3-24(30)31/h4-9,13-16H,2-3,10-12H2,1H3,(H,28,32)
InChIKeyOSVCTFPHGQEAHC-UHFFFAOYSA-N
XLogP4.06
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.50
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4-[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-pyridinyl]furo[2,3-b]pyridine-2-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-4-[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-pyridinyl]furo[2,3-b]pyridine-2-carboxamide (CID 151383060) is N-(2-methoxyethyl)-4-[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-pyridinyl]furo[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-4-[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-pyridinyl]furo[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-4-[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-pyridinyl]furo[2,3-b]pyridine-2-carboxamide is COCCNC(=O)c1cc2c(-c3cncc(-c4ccc(N5CCCC5=O)cc4)c3)ccnc2o1.
What is the InChIKey of N-(2-methoxyethyl)-4-[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-pyridinyl]furo[2,3-b]pyridine-2-carboxamide?
The InChIKey is OSVCTFPHGQEAHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O4/c1-33-12-10-28-25(32)23-14-22-21(8-9-29-26(22)34-23)19-13-18(15-27-16-19)17-4-6-20(7-5-17)30-11-2-3-24(30)31/h4-9,13-16H,2-3,10-12H2,1H3,(H,28,32).
What are the key properties of N-(2-methoxyethyl)-4-[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-pyridinyl]furo[2,3-b]pyridine-2-carboxamide?
N-(2-methoxyethyl)-4-[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-pyridinyl]furo[2,3-b]pyridine-2-carboxamide has a molecular weight of 456.50 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4-[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-pyridinyl]furo[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 151383060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).