N-(6-methoxy-3-pyridinyl)-4-oxochromene-2-carboxamide

C16H12N2O4 — CID 2998386

IUPACN-(6-methoxy-3-pyridinyl)-4-oxochromene-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(=O)c3ccccc3o2)cn1
InChIInChI=1S/C16H12N2O4/c1-21-15-7-6-10(9-17-15)18-16(20)14-8-12(19)11-4-2-3-5-13(11)22-14/h2-9H,1H3,(H,18,20)
InChIKeyMFKOATPFLFRJLV-UHFFFAOYSA-N
MW296.28 g/mol
LogP2.45
Rot. Bonds3

About N-(6-methoxy-3-pyridinyl)-4-oxochromene-2-carboxamide

N-(6-methoxy-3-pyridinyl)-4-oxochromene-2-carboxamide (PubChem CID 2998386) has the molecular formula C16H12N2O4 and a molecular weight of 296.28 g/mol. Its IUPAC name is N-(6-methoxy-3-pyridinyl)-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-(6-methoxy-3-pyridinyl)-4-oxochromene-2-carboxamide
PubChem CID2998386
Molecular FormulaC16H12N2O4
Molecular Weight296.28 g/mol
Exact Mass296.08
IUPAC NameN-(6-methoxy-3-pyridinyl)-4-oxochromene-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(=O)c3ccccc3o2)cn1
InChIInChI=1S/C16H12N2O4/c1-21-15-7-6-10(9-17-15)18-16(20)14-8-12(19)11-4-2-3-5-13(11)22-14/h2-9H,1H3,(H,18,20)
InChIKeyMFKOATPFLFRJLV-UHFFFAOYSA-N
XLogP2.45
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.28
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-3-pyridinyl)-4-oxochromene-2-carboxamide?
The IUPAC name of N-(6-methoxy-3-pyridinyl)-4-oxochromene-2-carboxamide (CID 2998386) is N-(6-methoxy-3-pyridinyl)-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-(6-methoxy-3-pyridinyl)-4-oxochromene-2-carboxamide?
The canonical SMILES for N-(6-methoxy-3-pyridinyl)-4-oxochromene-2-carboxamide is COc1ccc(NC(=O)c2cc(=O)c3ccccc3o2)cn1.
What is the InChIKey of N-(6-methoxy-3-pyridinyl)-4-oxochromene-2-carboxamide?
The InChIKey is MFKOATPFLFRJLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O4/c1-21-15-7-6-10(9-17-15)18-16(20)14-8-12(19)11-4-2-3-5-13(11)22-14/h2-9H,1H3,(H,18,20).
What are the key properties of N-(6-methoxy-3-pyridinyl)-4-oxochromene-2-carboxamide?
N-(6-methoxy-3-pyridinyl)-4-oxochromene-2-carboxamide has a molecular weight of 296.28 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-3-pyridinyl)-4-oxochromene-2-carboxamide is sourced from PubChem (CID 2998386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).