8-methoxy-N-(2-morpholin-4-yl-3-pyridinyl)-2-oxochromene-3-carboxamide

C20H19N3O5 — CID 650281

IUPAC8-methoxy-N-(2-morpholin-4-yl-3-pyridinyl)-2-oxochromene-3-carboxamide
SMILESCOc1cccc2cc(C(=O)Nc3cccnc3N3CCOCC3)c(=O)oc12
InChIInChI=1S/C20H19N3O5/c1-26-16-6-2-4-13-12-14(20(25)28-17(13)16)19(24)22-15-5-3-7-21-18(15)23-8-10-27-11-9-23/h2-7,12H,8-11H2,1H3,(H,22,24)
InChIKeyYMRBDYWGMMRECM-UHFFFAOYSA-N
MW381.39 g/mol
LogP2.29
Rot. Bonds4

About 8-methoxy-N-(2-morpholin-4-yl-3-pyridinyl)-2-oxochromene-3-carboxamide

8-methoxy-N-(2-morpholin-4-yl-3-pyridinyl)-2-oxochromene-3-carboxamide (PubChem CID 650281) has the molecular formula C20H19N3O5 and a molecular weight of 381.39 g/mol. Its IUPAC name is 8-methoxy-N-(2-morpholin-4-yl-3-pyridinyl)-2-oxochromene-3-carboxamide.

Molecular Properties

Compound Name8-methoxy-N-(2-morpholin-4-yl-3-pyridinyl)-2-oxochromene-3-carboxamide
PubChem CID650281
Molecular FormulaC20H19N3O5
Molecular Weight381.39 g/mol
Exact Mass381.13
IUPAC Name8-methoxy-N-(2-morpholin-4-yl-3-pyridinyl)-2-oxochromene-3-carboxamide
SMILESCOc1cccc2cc(C(=O)Nc3cccnc3N3CCOCC3)c(=O)oc12
InChIInChI=1S/C20H19N3O5/c1-26-16-6-2-4-13-12-14(20(25)28-17(13)16)19(24)22-15-5-3-7-21-18(15)23-8-10-27-11-9-23/h2-7,12H,8-11H2,1H3,(H,22,24)
InChIKeyYMRBDYWGMMRECM-UHFFFAOYSA-N
XLogP2.29
TPSA93.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.39
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-N-(2-morpholin-4-yl-3-pyridinyl)-2-oxochromene-3-carboxamide?
The IUPAC name of 8-methoxy-N-(2-morpholin-4-yl-3-pyridinyl)-2-oxochromene-3-carboxamide (CID 650281) is 8-methoxy-N-(2-morpholin-4-yl-3-pyridinyl)-2-oxochromene-3-carboxamide.
What is the SMILES notation for 8-methoxy-N-(2-morpholin-4-yl-3-pyridinyl)-2-oxochromene-3-carboxamide?
The canonical SMILES for 8-methoxy-N-(2-morpholin-4-yl-3-pyridinyl)-2-oxochromene-3-carboxamide is COc1cccc2cc(C(=O)Nc3cccnc3N3CCOCC3)c(=O)oc12.
What is the InChIKey of 8-methoxy-N-(2-morpholin-4-yl-3-pyridinyl)-2-oxochromene-3-carboxamide?
The InChIKey is YMRBDYWGMMRECM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O5/c1-26-16-6-2-4-13-12-14(20(25)28-17(13)16)19(24)22-15-5-3-7-21-18(15)23-8-10-27-11-9-23/h2-7,12H,8-11H2,1H3,(H,22,24).
What are the key properties of 8-methoxy-N-(2-morpholin-4-yl-3-pyridinyl)-2-oxochromene-3-carboxamide?
8-methoxy-N-(2-morpholin-4-yl-3-pyridinyl)-2-oxochromene-3-carboxamide has a molecular weight of 381.39 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-N-(2-morpholin-4-yl-3-pyridinyl)-2-oxochromene-3-carboxamide is sourced from PubChem (CID 650281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).