2-oxo-N-(1-pyridin-2-ylpyrrolidin-3-yl)chromene-3-carboxamide

C19H17N3O3 — CID 90621231

IUPAC2-oxo-N-(1-pyridin-2-ylpyrrolidin-3-yl)chromene-3-carboxamide
SMILESO=C(NC1CCN(c2ccccn2)C1)c1cc2ccccc2oc1=O
InChIInChI=1S/C19H17N3O3/c23-18(15-11-13-5-1-2-6-16(13)25-19(15)24)21-14-8-10-22(12-14)17-7-3-4-9-20-17/h1-7,9,11,14H,8,10,12H2,(H,21,23)
InChIKeyVEVCXTUBFUSXCR-UHFFFAOYSA-N
MW335.36 g/mol
LogP2.20
Rot. Bonds3

About 2-oxo-N-(1-pyridin-2-ylpyrrolidin-3-yl)chromene-3-carboxamide

2-oxo-N-(1-pyridin-2-ylpyrrolidin-3-yl)chromene-3-carboxamide (PubChem CID 90621231) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is 2-oxo-N-(1-pyridin-2-ylpyrrolidin-3-yl)chromene-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-(1-pyridin-2-ylpyrrolidin-3-yl)chromene-3-carboxamide
PubChem CID90621231
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC Name2-oxo-N-(1-pyridin-2-ylpyrrolidin-3-yl)chromene-3-carboxamide
SMILESO=C(NC1CCN(c2ccccn2)C1)c1cc2ccccc2oc1=O
InChIInChI=1S/C19H17N3O3/c23-18(15-11-13-5-1-2-6-16(13)25-19(15)24)21-14-8-10-22(12-14)17-7-3-4-9-20-17/h1-7,9,11,14H,8,10,12H2,(H,21,23)
InChIKeyVEVCXTUBFUSXCR-UHFFFAOYSA-N
XLogP2.20
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(1-pyridin-2-ylpyrrolidin-3-yl)chromene-3-carboxamide?
The IUPAC name of 2-oxo-N-(1-pyridin-2-ylpyrrolidin-3-yl)chromene-3-carboxamide (CID 90621231) is 2-oxo-N-(1-pyridin-2-ylpyrrolidin-3-yl)chromene-3-carboxamide.
What is the SMILES notation for 2-oxo-N-(1-pyridin-2-ylpyrrolidin-3-yl)chromene-3-carboxamide?
The canonical SMILES for 2-oxo-N-(1-pyridin-2-ylpyrrolidin-3-yl)chromene-3-carboxamide is O=C(NC1CCN(c2ccccn2)C1)c1cc2ccccc2oc1=O.
What is the InChIKey of 2-oxo-N-(1-pyridin-2-ylpyrrolidin-3-yl)chromene-3-carboxamide?
The InChIKey is VEVCXTUBFUSXCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3/c23-18(15-11-13-5-1-2-6-16(13)25-19(15)24)21-14-8-10-22(12-14)17-7-3-4-9-20-17/h1-7,9,11,14H,8,10,12H2,(H,21,23).
What are the key properties of 2-oxo-N-(1-pyridin-2-ylpyrrolidin-3-yl)chromene-3-carboxamide?
2-oxo-N-(1-pyridin-2-ylpyrrolidin-3-yl)chromene-3-carboxamide has a molecular weight of 335.36 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(1-pyridin-2-ylpyrrolidin-3-yl)chromene-3-carboxamide is sourced from PubChem (CID 90621231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).