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

C19H17N3O4 — CID 647212

IUPACN-(2-morpholin-4-yl-3-pyridinyl)-2-oxochromene-3-carboxamide
SMILESO=C(Nc1cccnc1N1CCOCC1)c1cc2ccccc2oc1=O
InChIInChI=1S/C19H17N3O4/c23-18(14-12-13-4-1-2-6-16(13)26-19(14)24)21-15-5-3-7-20-17(15)22-8-10-25-11-9-22/h1-7,12H,8-11H2,(H,21,23)
InChIKeyOHOJUMWIUNFEMR-UHFFFAOYSA-N
MW351.36 g/mol
LogP2.28
Rot. Bonds3

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

N-(2-morpholin-4-yl-3-pyridinyl)-2-oxochromene-3-carboxamide (PubChem CID 647212) has the molecular formula C19H17N3O4 and a molecular weight of 351.36 g/mol. Its IUPAC name is N-(2-morpholin-4-yl-3-pyridinyl)-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-(2-morpholin-4-yl-3-pyridinyl)-2-oxochromene-3-carboxamide
PubChem CID647212
Molecular FormulaC19H17N3O4
Molecular Weight351.36 g/mol
Exact Mass351.12
IUPAC NameN-(2-morpholin-4-yl-3-pyridinyl)-2-oxochromene-3-carboxamide
SMILESO=C(Nc1cccnc1N1CCOCC1)c1cc2ccccc2oc1=O
InChIInChI=1S/C19H17N3O4/c23-18(14-12-13-4-1-2-6-16(13)26-19(14)24)21-15-5-3-7-20-17(15)22-8-10-25-11-9-22/h1-7,12H,8-11H2,(H,21,23)
InChIKeyOHOJUMWIUNFEMR-UHFFFAOYSA-N
XLogP2.28
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 52.28
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 N-(2-morpholin-4-yl-3-pyridinyl)-2-oxochromene-3-carboxamide?
The IUPAC name of N-(2-morpholin-4-yl-3-pyridinyl)-2-oxochromene-3-carboxamide (CID 647212) is N-(2-morpholin-4-yl-3-pyridinyl)-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-(2-morpholin-4-yl-3-pyridinyl)-2-oxochromene-3-carboxamide?
The canonical SMILES for N-(2-morpholin-4-yl-3-pyridinyl)-2-oxochromene-3-carboxamide is O=C(Nc1cccnc1N1CCOCC1)c1cc2ccccc2oc1=O.
What is the InChIKey of N-(2-morpholin-4-yl-3-pyridinyl)-2-oxochromene-3-carboxamide?
The InChIKey is OHOJUMWIUNFEMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4/c23-18(14-12-13-4-1-2-6-16(13)26-19(14)24)21-15-5-3-7-20-17(15)22-8-10-25-11-9-22/h1-7,12H,8-11H2,(H,21,23).
What are the key properties of N-(2-morpholin-4-yl-3-pyridinyl)-2-oxochromene-3-carboxamide?
N-(2-morpholin-4-yl-3-pyridinyl)-2-oxochromene-3-carboxamide has a molecular weight of 351.36 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-yl-3-pyridinyl)-2-oxochromene-3-carboxamide is sourced from PubChem (CID 647212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).