2-(2-formamido-3-pyridinyl)-N-(2-oxo-3,8-dihydro-1H-cyclohepta[b]pyrrol-5-yl)-2,3-dihydro-1H-indene-5-carboxamide

C25H22N4O3 — CID 143201236

IUPAC2-(2-formamido-3-pyridinyl)-N-(2-oxo-3,8-dihydro-1H-cyclohepta[b]pyrrol-5-yl)-2,3-dihydro-1H-indene-5-carboxamide
SMILESO=CNc1ncccc1C1Cc2ccc(C(=O)NC3=CC4=C(CC=C3)NC(=O)C4)cc2C1
InChIInChI=1S/C25H22N4O3/c30-14-27-24-21(4-2-8-26-24)18-9-15-6-7-16(10-17(15)11-18)25(32)28-20-3-1-5-22-19(12-20)13-23(31)29-22/h1-4,6-8,10,12,14,18H,5,9,11,13H2,(H,28,32)(H,29,31)(H,26,27,30)
InChIKeyWALRKYAWTIMGLF-UHFFFAOYSA-N
MW426.48 g/mol
LogP2.88
Rot. Bonds5

About 2-(2-formamido-3-pyridinyl)-N-(2-oxo-3,8-dihydro-1H-cyclohepta[b]pyrrol-5-yl)-2,3-dihydro-1H-indene-5-carboxamide

2-(2-formamido-3-pyridinyl)-N-(2-oxo-3,8-dihydro-1H-cyclohepta[b]pyrrol-5-yl)-2,3-dihydro-1H-indene-5-carboxamide (PubChem CID 143201236) has the molecular formula C25H22N4O3 and a molecular weight of 426.48 g/mol. Its IUPAC name is 2-(2-formamido-3-pyridinyl)-N-(2-oxo-3,8-dihydro-1H-cyclohepta[b]pyrrol-5-yl)-2,3-dihydro-1H-indene-5-carboxamide.

Molecular Properties

Compound Name2-(2-formamido-3-pyridinyl)-N-(2-oxo-3,8-dihydro-1H-cyclohepta[b]pyrrol-5-yl)-2,3-dihydro-1H-indene-5-carboxamide
PubChem CID143201236
Molecular FormulaC25H22N4O3
Molecular Weight426.48 g/mol
Exact Mass426.17
IUPAC Name2-(2-formamido-3-pyridinyl)-N-(2-oxo-3,8-dihydro-1H-cyclohepta[b]pyrrol-5-yl)-2,3-dihydro-1H-indene-5-carboxamide
SMILESO=CNc1ncccc1C1Cc2ccc(C(=O)NC3=CC4=C(CC=C3)NC(=O)C4)cc2C1
InChIInChI=1S/C25H22N4O3/c30-14-27-24-21(4-2-8-26-24)18-9-15-6-7-16(10-17(15)11-18)25(32)28-20-3-1-5-22-19(12-20)13-23(31)29-22/h1-4,6-8,10,12,14,18H,5,9,11,13H2,(H,28,32)(H,29,31)(H,26,27,30)
InChIKeyWALRKYAWTIMGLF-UHFFFAOYSA-N
XLogP2.88
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-formamido-3-pyridinyl)-N-(2-oxo-3,8-dihydro-1H-cyclohepta[b]pyrrol-5-yl)-2,3-dihydro-1H-indene-5-carboxamide?
The IUPAC name of 2-(2-formamido-3-pyridinyl)-N-(2-oxo-3,8-dihydro-1H-cyclohepta[b]pyrrol-5-yl)-2,3-dihydro-1H-indene-5-carboxamide (CID 143201236) is 2-(2-formamido-3-pyridinyl)-N-(2-oxo-3,8-dihydro-1H-cyclohepta[b]pyrrol-5-yl)-2,3-dihydro-1H-indene-5-carboxamide.
What is the SMILES notation for 2-(2-formamido-3-pyridinyl)-N-(2-oxo-3,8-dihydro-1H-cyclohepta[b]pyrrol-5-yl)-2,3-dihydro-1H-indene-5-carboxamide?
The canonical SMILES for 2-(2-formamido-3-pyridinyl)-N-(2-oxo-3,8-dihydro-1H-cyclohepta[b]pyrrol-5-yl)-2,3-dihydro-1H-indene-5-carboxamide is O=CNc1ncccc1C1Cc2ccc(C(=O)NC3=CC4=C(CC=C3)NC(=O)C4)cc2C1.
What is the InChIKey of 2-(2-formamido-3-pyridinyl)-N-(2-oxo-3,8-dihydro-1H-cyclohepta[b]pyrrol-5-yl)-2,3-dihydro-1H-indene-5-carboxamide?
The InChIKey is WALRKYAWTIMGLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O3/c30-14-27-24-21(4-2-8-26-24)18-9-15-6-7-16(10-17(15)11-18)25(32)28-20-3-1-5-22-19(12-20)13-23(31)29-22/h1-4,6-8,10,12,14,18H,5,9,11,13H2,(H,28,32)(H,29,31)(H,26,27,30).
What are the key properties of 2-(2-formamido-3-pyridinyl)-N-(2-oxo-3,8-dihydro-1H-cyclohepta[b]pyrrol-5-yl)-2,3-dihydro-1H-indene-5-carboxamide?
2-(2-formamido-3-pyridinyl)-N-(2-oxo-3,8-dihydro-1H-cyclohepta[b]pyrrol-5-yl)-2,3-dihydro-1H-indene-5-carboxamide has a molecular weight of 426.48 g/mol, XLogP of 2.88, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-formamido-3-pyridinyl)-N-(2-oxo-3,8-dihydro-1H-cyclohepta[b]pyrrol-5-yl)-2,3-dihydro-1H-indene-5-carboxamide is sourced from PubChem (CID 143201236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).