2-oxo-N-(4-pyrrolidin-1-ylphenyl)chromene-3-carboxamide

C20H18N2O3 — CID 51157990

IUPAC2-oxo-N-(4-pyrrolidin-1-ylphenyl)chromene-3-carboxamide
SMILESO=C(Nc1ccc(N2CCCC2)cc1)c1cc2ccccc2oc1=O
InChIInChI=1S/C20H18N2O3/c23-19(17-13-14-5-1-2-6-18(14)25-20(17)24)21-15-7-9-16(10-8-15)22-11-3-4-12-22/h1-2,5-10,13H,3-4,11-12H2,(H,21,23)
InChIKeyDNFRWFFBSUZKPF-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.65
Rot. Bonds3

About 2-oxo-N-(4-pyrrolidin-1-ylphenyl)chromene-3-carboxamide

2-oxo-N-(4-pyrrolidin-1-ylphenyl)chromene-3-carboxamide (PubChem CID 51157990) has the molecular formula C20H18N2O3 and a molecular weight of 334.38 g/mol. Its IUPAC name is 2-oxo-N-(4-pyrrolidin-1-ylphenyl)chromene-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-(4-pyrrolidin-1-ylphenyl)chromene-3-carboxamide
PubChem CID51157990
Molecular FormulaC20H18N2O3
Molecular Weight334.38 g/mol
Exact Mass334.13
IUPAC Name2-oxo-N-(4-pyrrolidin-1-ylphenyl)chromene-3-carboxamide
SMILESO=C(Nc1ccc(N2CCCC2)cc1)c1cc2ccccc2oc1=O
InChIInChI=1S/C20H18N2O3/c23-19(17-13-14-5-1-2-6-18(14)25-20(17)24)21-15-7-9-16(10-8-15)22-11-3-4-12-22/h1-2,5-10,13H,3-4,11-12H2,(H,21,23)
InChIKeyDNFRWFFBSUZKPF-UHFFFAOYSA-N
XLogP3.65
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-methoxypiperidin-1-yl)phenyl]-2-oxochromene-3-carboxamide
CID 90595706
N-[4-(3-methoxypiperidin-1-yl)phenyl]-2-oxochromene-3-carboxamide
CID 121141467
N-[4-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]-2-oxochromene-3-carboxamide
CID 121090436
N-(5-morpholin-4-yl-2-pyridinyl)-2-oxochromene-3-carboxamide
CID 47020558
N-[4-(hydroxymethyl)phenyl]-2-oxochromene-3-carboxamide
CID 23661443
2-oxo-N-[4-(trifluoromethyl)phenyl]chromene-3-carboxamide
CID 10065394
N-(4-carbamoylphenyl)-2-oxochromene-3-carboxamide
CID 717683
7-(4-tert-butylpiperazin-1-yl)-2-oxo-N-phenylchromene-3-carboxamide
CID 141376588
2-oxo-N-(4-propan-2-ylphenyl)chromene-3-carboxamide
CID 724176
3-(1-benzofuran-2-carbonyl)-7-pyrrolidin-1-ylchromen-2-one
CID 21217315
N-[4-[(2-oxochromene-3-carbonyl)amino]phenyl]pyridine-2-carboxamide
CID 1442136
N-[4-(2-hydroxyethyl)phenyl]-2-oxochromene-3-carboxamide
CID 23658676

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(4-pyrrolidin-1-ylphenyl)chromene-3-carboxamide?
The IUPAC name of 2-oxo-N-(4-pyrrolidin-1-ylphenyl)chromene-3-carboxamide (CID 51157990) is 2-oxo-N-(4-pyrrolidin-1-ylphenyl)chromene-3-carboxamide.
What is the SMILES notation for 2-oxo-N-(4-pyrrolidin-1-ylphenyl)chromene-3-carboxamide?
The canonical SMILES for 2-oxo-N-(4-pyrrolidin-1-ylphenyl)chromene-3-carboxamide is O=C(Nc1ccc(N2CCCC2)cc1)c1cc2ccccc2oc1=O.
What is the InChIKey of 2-oxo-N-(4-pyrrolidin-1-ylphenyl)chromene-3-carboxamide?
The InChIKey is DNFRWFFBSUZKPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3/c23-19(17-13-14-5-1-2-6-18(14)25-20(17)24)21-15-7-9-16(10-8-15)22-11-3-4-12-22/h1-2,5-10,13H,3-4,11-12H2,(H,21,23).
What are the key properties of 2-oxo-N-(4-pyrrolidin-1-ylphenyl)chromene-3-carboxamide?
2-oxo-N-(4-pyrrolidin-1-ylphenyl)chromene-3-carboxamide has a molecular weight of 334.38 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(4-pyrrolidin-1-ylphenyl)chromene-3-carboxamide is sourced from PubChem (CID 51157990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).