2,2-difluoro-N-[3-[(2E,4Z,7Z)-7-hydroxyimino-4-methyl-6-methylidenenona-2,4-dien-3-yl]-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide

C23H24F2N4O2 — CID 171555164

About 2,2-difluoro-N-[3-[(2E,4Z,7Z)-7-hydroxyimino-4-methyl-6-methylidenenona-2,4-dien-3-yl]-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide

2,2-difluoro-N-[3-[(2E,4Z,7Z)-7-hydroxyimino-4-methyl-6-methylidenenona-2,4-dien-3-yl]-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide (PubChem CID 171555164) has the molecular formula C23H24F2N4O2 and a molecular weight of 426.47 g/mol. Its IUPAC name is 2,2-difluoro-N-[3-[(2E,4Z,7Z)-7-hydroxyimino-4-methyl-6-methylidenenona-2,4-dien-3-yl]-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: 2,2-difluoro-N-[3-[(2E,4Z,7Z)-7-hydroxyimino-4-methyl-6-methylidenenona-2,4-dien-3-yl]-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide
• PubChem CID: 171555164
• Molecular Formula: C23H24F2N4O2
• Molecular Weight: 426.47 g/mol
• Exact Mass: 426.19
• IUPAC Name: 2,2-difluoro-N-[3-[(2E,4Z,7Z)-7-hydroxyimino-4-methyl-6-methylidenenona-2,4-dien-3-yl]-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide
• SMILES: C=C(/C=C(C)\C(=C/C)c1cnc2cc(NC(=O)C3CC3(F)F)ncc2c1)/C(CC)=N\O
• InChI: InChI=1S/C23H24F2N4O2/c1-5-17(13(3)7-14(4)19(6-2)29-31)15-8-16-12-27-21(9-20(16)26-11-15)28-22(30)18-10-23(18,24)25/h5,7-9,11-12,18,31H,4,6,10H2,1-3H3,(H,27,28,30)/b13-7-,17-5+,29-19-
• InChIKey: GFTATCHMECYRFR-IKRZJEAPSA-N
• XLogP: 5.37
• TPSA: 87.47 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	426.47
LogP ≤ 5	5.37
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[3-[(2E,4Z,7Z)-7-hydroxyimino-4-methyl-6-methylidenenona-2,4-dien-3-yl]-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide?

The IUPAC name of 2,2-difluoro-N-[3-[(2E,4Z,7Z)-7-hydroxyimino-4-methyl-6-methylidenenona-2,4-dien-3-yl]-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide (CID 171555164) is 2,2-difluoro-N-[3-[(2E,4Z,7Z)-7-hydroxyimino-4-methyl-6-methylidenenona-2,4-dien-3-yl]-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide.

What is the SMILES notation for 2,2-difluoro-N-[3-[(2E,4Z,7Z)-7-hydroxyimino-4-methyl-6-methylidenenona-2,4-dien-3-yl]-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide?

The canonical SMILES for 2,2-difluoro-N-[3-[(2E,4Z,7Z)-7-hydroxyimino-4-methyl-6-methylidenenona-2,4-dien-3-yl]-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide is C=C(/C=C(C)\C(=C/C)c1cnc2cc(NC(=O)C3CC3(F)F)ncc2c1)/C(CC)=N\O.

What is the InChIKey of 2,2-difluoro-N-[3-[(2E,4Z,7Z)-7-hydroxyimino-4-methyl-6-methylidenenona-2,4-dien-3-yl]-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide?

The InChIKey is GFTATCHMECYRFR-IKRZJEAPSA-N. The full InChI is InChI=1S/C23H24F2N4O2/c1-5-17(13(3)7-14(4)19(6-2)29-31)15-8-16-12-27-21(9-20(16)26-11-15)28-22(30)18-10-23(18,24)25/h5,7-9,11-12,18,31H,4,6,10H2,1-3H3,(H,27,28,30)/b13-7-,17-5+,29-19-.

What are the key properties of 2,2-difluoro-N-[3-[(2E,4Z,7Z)-7-hydroxyimino-4-methyl-6-methylidenenona-2,4-dien-3-yl]-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide?

2,2-difluoro-N-[3-[(2E,4Z,7Z)-7-hydroxyimino-4-methyl-6-methylidenenona-2,4-dien-3-yl]-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide has a molecular weight of 426.47 g/mol, XLogP of 5.37, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2-difluoro-N-[3-[(2E,4Z,7Z)-7-hydroxyimino-4-methyl-6-methylidenenona-2,4-dien-3-yl]-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 171555164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).