N-[4-[[4-(difluoromethyl)-5-(methylamino)-6-nitro-3-pyridinyl]oxy]-2-pyridinyl]cyclopropanecarboxamide

C16H15F2N5O4 — CID 157042177

IUPACN-[4-[[4-(difluoromethyl)-5-(methylamino)-6-nitro-3-pyridinyl]oxy]-2-pyridinyl]cyclopropanecarboxamide
SMILESCNc1c([N+](=O)[O-])ncc(Oc2ccnc(NC(=O)C3CC3)c2)c1C(F)F
InChIInChI=1S/C16H15F2N5O4/c1-19-13-12(14(17)18)10(7-21-15(13)23(25)26)27-9-4-5-20-11(6-9)22-16(24)8-2-3-8/h4-8,14,19H,2-3H2,1H3,(H,20,22,24)
InChIKeyFICCAHPTDVWUPN-UHFFFAOYSA-N
MW379.32 g/mol
LogP3.50
Rot. Bonds7

About N-[4-[[4-(difluoromethyl)-5-(methylamino)-6-nitro-3-pyridinyl]oxy]-2-pyridinyl]cyclopropanecarboxamide

N-[4-[[4-(difluoromethyl)-5-(methylamino)-6-nitro-3-pyridinyl]oxy]-2-pyridinyl]cyclopropanecarboxamide (PubChem CID 157042177) has the molecular formula C16H15F2N5O4 and a molecular weight of 379.32 g/mol. Its IUPAC name is N-[4-[[4-(difluoromethyl)-5-(methylamino)-6-nitro-3-pyridinyl]oxy]-2-pyridinyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[[4-(difluoromethyl)-5-(methylamino)-6-nitro-3-pyridinyl]oxy]-2-pyridinyl]cyclopropanecarboxamide
PubChem CID157042177
Molecular FormulaC16H15F2N5O4
Molecular Weight379.32 g/mol
Exact Mass379.11
IUPAC NameN-[4-[[4-(difluoromethyl)-5-(methylamino)-6-nitro-3-pyridinyl]oxy]-2-pyridinyl]cyclopropanecarboxamide
SMILESCNc1c([N+](=O)[O-])ncc(Oc2ccnc(NC(=O)C3CC3)c2)c1C(F)F
InChIInChI=1S/C16H15F2N5O4/c1-19-13-12(14(17)18)10(7-21-15(13)23(25)26)27-9-4-5-20-11(6-9)22-16(24)8-2-3-8/h4-8,14,19H,2-3H2,1H3,(H,20,22,24)
InChIKeyFICCAHPTDVWUPN-UHFFFAOYSA-N
XLogP3.50
TPSA119.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.32
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(difluoromethyl)-5-(methylamino)-6-nitro-3-pyridinyl]oxy]-2-pyridinyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[[4-(difluoromethyl)-5-(methylamino)-6-nitro-3-pyridinyl]oxy]-2-pyridinyl]cyclopropanecarboxamide (CID 157042177) is N-[4-[[4-(difluoromethyl)-5-(methylamino)-6-nitro-3-pyridinyl]oxy]-2-pyridinyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[[4-(difluoromethyl)-5-(methylamino)-6-nitro-3-pyridinyl]oxy]-2-pyridinyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[[4-(difluoromethyl)-5-(methylamino)-6-nitro-3-pyridinyl]oxy]-2-pyridinyl]cyclopropanecarboxamide is CNc1c([N+](=O)[O-])ncc(Oc2ccnc(NC(=O)C3CC3)c2)c1C(F)F.
What is the InChIKey of N-[4-[[4-(difluoromethyl)-5-(methylamino)-6-nitro-3-pyridinyl]oxy]-2-pyridinyl]cyclopropanecarboxamide?
The InChIKey is FICCAHPTDVWUPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N5O4/c1-19-13-12(14(17)18)10(7-21-15(13)23(25)26)27-9-4-5-20-11(6-9)22-16(24)8-2-3-8/h4-8,14,19H,2-3H2,1H3,(H,20,22,24).
What are the key properties of N-[4-[[4-(difluoromethyl)-5-(methylamino)-6-nitro-3-pyridinyl]oxy]-2-pyridinyl]cyclopropanecarboxamide?
N-[4-[[4-(difluoromethyl)-5-(methylamino)-6-nitro-3-pyridinyl]oxy]-2-pyridinyl]cyclopropanecarboxamide has a molecular weight of 379.32 g/mol, XLogP of 3.50, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(difluoromethyl)-5-(methylamino)-6-nitro-3-pyridinyl]oxy]-2-pyridinyl]cyclopropanecarboxamide is sourced from PubChem (CID 157042177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).