N-[(2R)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-2-oxochromene-3-carboxamide

C21H22N2O4 — CID 26835109

IUPACN-[(2R)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-2-oxochromene-3-carboxamide
SMILESCc1ccc([C@@H](CNC(=O)c2cc3ccccc3oc2=O)N2CCCC2)o1
InChIInChI=1S/C21H22N2O4/c1-14-8-9-19(26-14)17(23-10-4-5-11-23)13-22-20(24)16-12-15-6-2-3-7-18(15)27-21(16)25/h2-3,6-9,12,17H,4-5,10-11,13H2,1H3,(H,22,24)/t17-/m1/s1
InChIKeyXVWXXTPBGDBNSY-QGZVFWFLSA-N
MW366.42 g/mol
LogP3.26
Rot. Bonds5

About N-[(2R)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-2-oxochromene-3-carboxamide

N-[(2R)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-2-oxochromene-3-carboxamide (PubChem CID 26835109) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is N-[(2R)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-2-oxochromene-3-carboxamide
PubChem CID26835109
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC NameN-[(2R)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-2-oxochromene-3-carboxamide
SMILESCc1ccc([C@@H](CNC(=O)c2cc3ccccc3oc2=O)N2CCCC2)o1
InChIInChI=1S/C21H22N2O4/c1-14-8-9-19(26-14)17(23-10-4-5-11-23)13-22-20(24)16-12-15-6-2-3-7-18(15)27-21(16)25/h2-3,6-9,12,17H,4-5,10-11,13H2,1H3,(H,22,24)/t17-/m1/s1
InChIKeyXVWXXTPBGDBNSY-QGZVFWFLSA-N
XLogP3.26
TPSA75.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-oxo-N-(2-phenyl-2-pyrrolidin-1-ylethyl)chromene-3-carboxamide
CID 24624978
N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2-oxochromene-3-carboxamide
CID 40849817
N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-oxochromene-3-carboxamide
CID 42910719
N-[2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]-2-oxochromene-3-carboxamide
CID 20962582
N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1-benzofuran-2-carboxamide
CID 51283092
N-[(2S)-2-(5-methylfuran-2-yl)-2-piperidin-1-ylethyl]benzamide
CID 26834523
N-[(2R)-2-(5-methylfuran-2-yl)-2-piperidin-1-ylethyl]benzamide
CID 26834521
5-amino-2-methyl-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 120646001
2,3-dimethyl-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-5-methylsulfonylbenzamide
CID 138994759
N-[(2R)-2-[4-(dimethylamino)phenyl]-2-(4-methylpiperazin-1-yl)ethyl]-2-oxochromene-3-carboxamide
CID 51628649
N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]naphthalene-1-carboxamide
CID 18168885
4-methoxy-N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 26834639

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-2-oxochromene-3-carboxamide?
The IUPAC name of N-[(2R)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-2-oxochromene-3-carboxamide (CID 26835109) is N-[(2R)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-[(2R)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-2-oxochromene-3-carboxamide?
The canonical SMILES for N-[(2R)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-2-oxochromene-3-carboxamide is Cc1ccc([C@@H](CNC(=O)c2cc3ccccc3oc2=O)N2CCCC2)o1.
What is the InChIKey of N-[(2R)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-2-oxochromene-3-carboxamide?
The InChIKey is XVWXXTPBGDBNSY-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-14-8-9-19(26-14)17(23-10-4-5-11-23)13-22-20(24)16-12-15-6-2-3-7-18(15)27-21(16)25/h2-3,6-9,12,17H,4-5,10-11,13H2,1H3,(H,22,24)/t17-/m1/s1.
What are the key properties of N-[(2R)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-2-oxochromene-3-carboxamide?
N-[(2R)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-2-oxochromene-3-carboxamide has a molecular weight of 366.42 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-2-oxochromene-3-carboxamide is sourced from PubChem (CID 26835109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).