(2S)-N-[2-(4-methyl-2-oxochromen-7-yl)oxy-3-pyridinyl]oxolane-2-carboxamide

C20H18N2O5 — CID 95860265

IUPAC(2S)-N-[2-(4-methyl-2-oxochromen-7-yl)oxy-3-pyridinyl]oxolane-2-carboxamide
SMILESCc1cc(=O)oc2cc(Oc3ncccc3NC(=O)[C@@H]3CCCO3)ccc12
InChIInChI=1S/C20H18N2O5/c1-12-10-18(23)27-17-11-13(6-7-14(12)17)26-20-15(4-2-8-21-20)22-19(24)16-5-3-9-25-16/h2,4,6-8,10-11,16H,3,5,9H2,1H3,(H,22,24)/t16-/m0/s1
InChIKeyGUYWXGZCDWHTQS-INIZCTEOSA-N
MW366.37 g/mol
LogP3.41
Rot. Bonds4

About (2S)-N-[2-(4-methyl-2-oxochromen-7-yl)oxy-3-pyridinyl]oxolane-2-carboxamide

(2S)-N-[2-(4-methyl-2-oxochromen-7-yl)oxy-3-pyridinyl]oxolane-2-carboxamide (PubChem CID 95860265) has the molecular formula C20H18N2O5 and a molecular weight of 366.37 g/mol. Its IUPAC name is (2S)-N-[2-(4-methyl-2-oxochromen-7-yl)oxy-3-pyridinyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[2-(4-methyl-2-oxochromen-7-yl)oxy-3-pyridinyl]oxolane-2-carboxamide
PubChem CID95860265
Molecular FormulaC20H18N2O5
Molecular Weight366.37 g/mol
Exact Mass366.12
IUPAC Name(2S)-N-[2-(4-methyl-2-oxochromen-7-yl)oxy-3-pyridinyl]oxolane-2-carboxamide
SMILESCc1cc(=O)oc2cc(Oc3ncccc3NC(=O)[C@@H]3CCCO3)ccc12
InChIInChI=1S/C20H18N2O5/c1-12-10-18(23)27-17-11-13(6-7-14(12)17)26-20-15(4-2-8-21-20)22-19(24)16-5-3-9-25-16/h2,4,6-8,10-11,16H,3,5,9H2,1H3,(H,22,24)/t16-/m0/s1
InChIKeyGUYWXGZCDWHTQS-INIZCTEOSA-N
XLogP3.41
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.37
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(4-methyl-2-oxochromen-7-yl)oxy-3-pyridinyl]oxolane-2-carboxamide?
The IUPAC name of (2S)-N-[2-(4-methyl-2-oxochromen-7-yl)oxy-3-pyridinyl]oxolane-2-carboxamide (CID 95860265) is (2S)-N-[2-(4-methyl-2-oxochromen-7-yl)oxy-3-pyridinyl]oxolane-2-carboxamide.
What is the SMILES notation for (2S)-N-[2-(4-methyl-2-oxochromen-7-yl)oxy-3-pyridinyl]oxolane-2-carboxamide?
The canonical SMILES for (2S)-N-[2-(4-methyl-2-oxochromen-7-yl)oxy-3-pyridinyl]oxolane-2-carboxamide is Cc1cc(=O)oc2cc(Oc3ncccc3NC(=O)[C@@H]3CCCO3)ccc12.
What is the InChIKey of (2S)-N-[2-(4-methyl-2-oxochromen-7-yl)oxy-3-pyridinyl]oxolane-2-carboxamide?
The InChIKey is GUYWXGZCDWHTQS-INIZCTEOSA-N. The full InChI is InChI=1S/C20H18N2O5/c1-12-10-18(23)27-17-11-13(6-7-14(12)17)26-20-15(4-2-8-21-20)22-19(24)16-5-3-9-25-16/h2,4,6-8,10-11,16H,3,5,9H2,1H3,(H,22,24)/t16-/m0/s1.
What are the key properties of (2S)-N-[2-(4-methyl-2-oxochromen-7-yl)oxy-3-pyridinyl]oxolane-2-carboxamide?
(2S)-N-[2-(4-methyl-2-oxochromen-7-yl)oxy-3-pyridinyl]oxolane-2-carboxamide has a molecular weight of 366.37 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(4-methyl-2-oxochromen-7-yl)oxy-3-pyridinyl]oxolane-2-carboxamide is sourced from PubChem (CID 95860265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).