N-[(Z)-1-amino-3-(3,5-difluoroanilino)prop-2-enylidene]-1-(3-fluoro-2-pyridinyl)-2-methylcyclopropane-1-carboxamide

C19H17F3N4O — CID 142372099

IUPACN-[(Z)-1-amino-3-(3,5-difluoroanilino)prop-2-enylidene]-1-(3-fluoro-2-pyridinyl)-2-methylcyclopropane-1-carboxamide
SMILESCC1CC1(C(=O)/N=C(N)/C=C\Nc1cc(F)cc(F)c1)c1ncccc1F
InChIInChI=1S/C19H17F3N4O/c1-11-10-19(11,17-15(22)3-2-5-25-17)18(27)26-16(23)4-6-24-14-8-12(20)7-13(21)9-14/h2-9,11,24H,10H2,1H3,(H2,23,26,27)/b6-4-
InChIKeyPVKUIDKRAGYIDE-XQRVVYSFSA-N
MW374.37 g/mol
LogP3.29
Rot. Bonds5

About N-[(Z)-1-amino-3-(3,5-difluoroanilino)prop-2-enylidene]-1-(3-fluoro-2-pyridinyl)-2-methylcyclopropane-1-carboxamide

N-[(Z)-1-amino-3-(3,5-difluoroanilino)prop-2-enylidene]-1-(3-fluoro-2-pyridinyl)-2-methylcyclopropane-1-carboxamide (PubChem CID 142372099) has the molecular formula C19H17F3N4O and a molecular weight of 374.37 g/mol. Its IUPAC name is N-[(Z)-1-amino-3-(3,5-difluoroanilino)prop-2-enylidene]-1-(3-fluoro-2-pyridinyl)-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(Z)-1-amino-3-(3,5-difluoroanilino)prop-2-enylidene]-1-(3-fluoro-2-pyridinyl)-2-methylcyclopropane-1-carboxamide
PubChem CID142372099
Molecular FormulaC19H17F3N4O
Molecular Weight374.37 g/mol
Exact Mass374.14
IUPAC NameN-[(Z)-1-amino-3-(3,5-difluoroanilino)prop-2-enylidene]-1-(3-fluoro-2-pyridinyl)-2-methylcyclopropane-1-carboxamide
SMILESCC1CC1(C(=O)/N=C(N)/C=C\Nc1cc(F)cc(F)c1)c1ncccc1F
InChIInChI=1S/C19H17F3N4O/c1-11-10-19(11,17-15(22)3-2-5-25-17)18(27)26-16(23)4-6-24-14-8-12(20)7-13(21)9-14/h2-9,11,24H,10H2,1H3,(H2,23,26,27)/b6-4-
InChIKeyPVKUIDKRAGYIDE-XQRVVYSFSA-N
XLogP3.29
TPSA80.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.37
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-amino-3-(3,5-difluoroanilino)prop-2-enylidene]-1-(3-fluoro-2-pyridinyl)-2-methylcyclopropane-1-carboxamide?
The IUPAC name of N-[(Z)-1-amino-3-(3,5-difluoroanilino)prop-2-enylidene]-1-(3-fluoro-2-pyridinyl)-2-methylcyclopropane-1-carboxamide (CID 142372099) is N-[(Z)-1-amino-3-(3,5-difluoroanilino)prop-2-enylidene]-1-(3-fluoro-2-pyridinyl)-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[(Z)-1-amino-3-(3,5-difluoroanilino)prop-2-enylidene]-1-(3-fluoro-2-pyridinyl)-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-[(Z)-1-amino-3-(3,5-difluoroanilino)prop-2-enylidene]-1-(3-fluoro-2-pyridinyl)-2-methylcyclopropane-1-carboxamide is CC1CC1(C(=O)/N=C(N)/C=C\Nc1cc(F)cc(F)c1)c1ncccc1F.
What is the InChIKey of N-[(Z)-1-amino-3-(3,5-difluoroanilino)prop-2-enylidene]-1-(3-fluoro-2-pyridinyl)-2-methylcyclopropane-1-carboxamide?
The InChIKey is PVKUIDKRAGYIDE-XQRVVYSFSA-N. The full InChI is InChI=1S/C19H17F3N4O/c1-11-10-19(11,17-15(22)3-2-5-25-17)18(27)26-16(23)4-6-24-14-8-12(20)7-13(21)9-14/h2-9,11,24H,10H2,1H3,(H2,23,26,27)/b6-4-.
What are the key properties of N-[(Z)-1-amino-3-(3,5-difluoroanilino)prop-2-enylidene]-1-(3-fluoro-2-pyridinyl)-2-methylcyclopropane-1-carboxamide?
N-[(Z)-1-amino-3-(3,5-difluoroanilino)prop-2-enylidene]-1-(3-fluoro-2-pyridinyl)-2-methylcyclopropane-1-carboxamide has a molecular weight of 374.37 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-amino-3-(3,5-difluoroanilino)prop-2-enylidene]-1-(3-fluoro-2-pyridinyl)-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 142372099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).