6-[(2,4-difluorocyclohexa-1,3-diene-1-carbonyl)amino]-N-methoxy-N-methylpyridine-3-carboxamide

C15H15F2N3O3 — CID 91022800

IUPAC6-[(2,4-difluorocyclohexa-1,3-diene-1-carbonyl)amino]-N-methoxy-N-methylpyridine-3-carboxamide
SMILESCON(C)C(=O)c1ccc(NC(=O)C2=C(F)C=C(F)CC2)nc1
InChIInChI=1S/C15H15F2N3O3/c1-20(23-2)15(22)9-3-6-13(18-8-9)19-14(21)11-5-4-10(16)7-12(11)17/h3,6-8H,4-5H2,1-2H3,(H,18,19,21)
InChIKeyCYKXUZZGGTVATQ-UHFFFAOYSA-N
MW323.30 g/mol
LogP2.52
Rot. Bonds4

About 6-[(2,4-difluorocyclohexa-1,3-diene-1-carbonyl)amino]-N-methoxy-N-methylpyridine-3-carboxamide

6-[(2,4-difluorocyclohexa-1,3-diene-1-carbonyl)amino]-N-methoxy-N-methylpyridine-3-carboxamide (PubChem CID 91022800) has the molecular formula C15H15F2N3O3 and a molecular weight of 323.30 g/mol. Its IUPAC name is 6-[(2,4-difluorocyclohexa-1,3-diene-1-carbonyl)amino]-N-methoxy-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(2,4-difluorocyclohexa-1,3-diene-1-carbonyl)amino]-N-methoxy-N-methylpyridine-3-carboxamide
PubChem CID91022800
Molecular FormulaC15H15F2N3O3
Molecular Weight323.30 g/mol
Exact Mass323.11
IUPAC Name6-[(2,4-difluorocyclohexa-1,3-diene-1-carbonyl)amino]-N-methoxy-N-methylpyridine-3-carboxamide
SMILESCON(C)C(=O)c1ccc(NC(=O)C2=C(F)C=C(F)CC2)nc1
InChIInChI=1S/C15H15F2N3O3/c1-20(23-2)15(22)9-3-6-13(18-8-9)19-14(21)11-5-4-10(16)7-12(11)17/h3,6-8H,4-5H2,1-2H3,(H,18,19,21)
InChIKeyCYKXUZZGGTVATQ-UHFFFAOYSA-N
XLogP2.52
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.30
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[(2,4-difluorocyclohexa-1,3-diene-1-carbonyl)amino]-N-methoxy-N-methylpyridine-3-carboxamide?
The IUPAC name of 6-[(2,4-difluorocyclohexa-1,3-diene-1-carbonyl)amino]-N-methoxy-N-methylpyridine-3-carboxamide (CID 91022800) is 6-[(2,4-difluorocyclohexa-1,3-diene-1-carbonyl)amino]-N-methoxy-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 6-[(2,4-difluorocyclohexa-1,3-diene-1-carbonyl)amino]-N-methoxy-N-methylpyridine-3-carboxamide?
The canonical SMILES for 6-[(2,4-difluorocyclohexa-1,3-diene-1-carbonyl)amino]-N-methoxy-N-methylpyridine-3-carboxamide is CON(C)C(=O)c1ccc(NC(=O)C2=C(F)C=C(F)CC2)nc1.
What is the InChIKey of 6-[(2,4-difluorocyclohexa-1,3-diene-1-carbonyl)amino]-N-methoxy-N-methylpyridine-3-carboxamide?
The InChIKey is CYKXUZZGGTVATQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N3O3/c1-20(23-2)15(22)9-3-6-13(18-8-9)19-14(21)11-5-4-10(16)7-12(11)17/h3,6-8H,4-5H2,1-2H3,(H,18,19,21).
What are the key properties of 6-[(2,4-difluorocyclohexa-1,3-diene-1-carbonyl)amino]-N-methoxy-N-methylpyridine-3-carboxamide?
6-[(2,4-difluorocyclohexa-1,3-diene-1-carbonyl)amino]-N-methoxy-N-methylpyridine-3-carboxamide has a molecular weight of 323.30 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,4-difluorocyclohexa-1,3-diene-1-carbonyl)amino]-N-methoxy-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 91022800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).