(2R,4R)-N-cyclopropyl-2-(4-hydroxybutoxy)-4-(4-oxochromen-3-yl)-3,4-dihydro-2H-pyran-6-carboxamide

C22H25NO6 — CID 24746706

IUPAC(2R,4R)-N-cyclopropyl-2-(4-hydroxybutoxy)-4-(4-oxochromen-3-yl)-3,4-dihydro-2H-pyran-6-carboxamide
SMILESO=C(NC1CC1)C1=C[C@H](c2coc3ccccc3c2=O)C[C@H](OCCCCO)O1
InChIInChI=1S/C22H25NO6/c24-9-3-4-10-27-20-12-14(11-19(29-20)22(26)23-15-7-8-15)17-13-28-18-6-2-1-5-16(18)21(17)25/h1-2,5-6,11,13-15,20,24H,3-4,7-10,12H2,(H,23,26)/t14-,20+/m0/s1
InChIKeyPCYUEOFMSPOADM-VBKZILBWSA-N
MW399.44 g/mol
LogP2.57
Rot. Bonds8

About (2R,4R)-N-cyclopropyl-2-(4-hydroxybutoxy)-4-(4-oxochromen-3-yl)-3,4-dihydro-2H-pyran-6-carboxamide

(2R,4R)-N-cyclopropyl-2-(4-hydroxybutoxy)-4-(4-oxochromen-3-yl)-3,4-dihydro-2H-pyran-6-carboxamide (PubChem CID 24746706) has the molecular formula C22H25NO6 and a molecular weight of 399.44 g/mol. Its IUPAC name is (2R,4R)-N-cyclopropyl-2-(4-hydroxybutoxy)-4-(4-oxochromen-3-yl)-3,4-dihydro-2H-pyran-6-carboxamide.

Molecular Properties

Compound Name(2R,4R)-N-cyclopropyl-2-(4-hydroxybutoxy)-4-(4-oxochromen-3-yl)-3,4-dihydro-2H-pyran-6-carboxamide
PubChem CID24746706
Molecular FormulaC22H25NO6
Molecular Weight399.44 g/mol
Exact Mass399.17
IUPAC Name(2R,4R)-N-cyclopropyl-2-(4-hydroxybutoxy)-4-(4-oxochromen-3-yl)-3,4-dihydro-2H-pyran-6-carboxamide
SMILESO=C(NC1CC1)C1=C[C@H](c2coc3ccccc3c2=O)C[C@H](OCCCCO)O1
InChIInChI=1S/C22H25NO6/c24-9-3-4-10-27-20-12-14(11-19(29-20)22(26)23-15-7-8-15)17-13-28-18-6-2-1-5-16(18)21(17)25/h1-2,5-6,11,13-15,20,24H,3-4,7-10,12H2,(H,23,26)/t14-,20+/m0/s1
InChIKeyPCYUEOFMSPOADM-VBKZILBWSA-N
XLogP2.57
TPSA98.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.44
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (2R,4R)-N-cyclopropyl-2-(4-hydroxybutoxy)-4-(4-oxochromen-3-yl)-3,4-dihydro-2H-pyran-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-N-cyclopropyl-2-(4-hydroxybutoxy)-4-(4-oxochromen-3-yl)-3,4-dihydro-2H-pyran-6-carboxamide?
The IUPAC name of (2R,4R)-N-cyclopropyl-2-(4-hydroxybutoxy)-4-(4-oxochromen-3-yl)-3,4-dihydro-2H-pyran-6-carboxamide (CID 24746706) is (2R,4R)-N-cyclopropyl-2-(4-hydroxybutoxy)-4-(4-oxochromen-3-yl)-3,4-dihydro-2H-pyran-6-carboxamide.
What is the SMILES notation for (2R,4R)-N-cyclopropyl-2-(4-hydroxybutoxy)-4-(4-oxochromen-3-yl)-3,4-dihydro-2H-pyran-6-carboxamide?
The canonical SMILES for (2R,4R)-N-cyclopropyl-2-(4-hydroxybutoxy)-4-(4-oxochromen-3-yl)-3,4-dihydro-2H-pyran-6-carboxamide is O=C(NC1CC1)C1=C[C@H](c2coc3ccccc3c2=O)C[C@H](OCCCCO)O1.
What is the InChIKey of (2R,4R)-N-cyclopropyl-2-(4-hydroxybutoxy)-4-(4-oxochromen-3-yl)-3,4-dihydro-2H-pyran-6-carboxamide?
The InChIKey is PCYUEOFMSPOADM-VBKZILBWSA-N. The full InChI is InChI=1S/C22H25NO6/c24-9-3-4-10-27-20-12-14(11-19(29-20)22(26)23-15-7-8-15)17-13-28-18-6-2-1-5-16(18)21(17)25/h1-2,5-6,11,13-15,20,24H,3-4,7-10,12H2,(H,23,26)/t14-,20+/m0/s1.
What are the key properties of (2R,4R)-N-cyclopropyl-2-(4-hydroxybutoxy)-4-(4-oxochromen-3-yl)-3,4-dihydro-2H-pyran-6-carboxamide?
(2R,4R)-N-cyclopropyl-2-(4-hydroxybutoxy)-4-(4-oxochromen-3-yl)-3,4-dihydro-2H-pyran-6-carboxamide has a molecular weight of 399.44 g/mol, XLogP of 2.57, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-N-cyclopropyl-2-(4-hydroxybutoxy)-4-(4-oxochromen-3-yl)-3,4-dihydro-2H-pyran-6-carboxamide is sourced from PubChem (CID 24746706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).