5-amino-N-[6-(C,N-dimethylcarbonimidoyl)-2-pyridinyl]-2,4-difluorobenzamide;ethane;2-methylpropane;propane

C24H38F2N4O — CID 172597122

IUPAC5-amino-N-[6-(C,N-dimethylcarbonimidoyl)-2-pyridinyl]-2,4-difluorobenzamide;ethane;2-methylpropane;propane
SMILESC/N=C(\C)c1cccc(NC(=O)c2cc(N)c(F)cc2F)n1.CC.CC(C)C.CCC
InChIInChI=1S/C15H14F2N4O.C4H10.C3H8.C2H6/c1-8(19-2)13-4-3-5-14(20-13)21-15(22)9-6-12(18)11(17)7-10(9)16;1-4(2)3;1-3-2;1-2/h3-7H,18H2,1-2H3,(H,20,21,22);4H,1-3H3;3H2,1-2H3;1-2H3/b19-8+;;;
InChIKeyDAMPFTGUGUYHHG-ZVNSOFHTSA-N
MW436.59 g/mol
LogP6.74
Rot. Bonds3

About 5-amino-N-[6-(C,N-dimethylcarbonimidoyl)-2-pyridinyl]-2,4-difluorobenzamide;ethane;2-methylpropane;propane

5-amino-N-[6-(C,N-dimethylcarbonimidoyl)-2-pyridinyl]-2,4-difluorobenzamide;ethane;2-methylpropane;propane (PubChem CID 172597122) has the molecular formula C24H38F2N4O and a molecular weight of 436.59 g/mol. Its IUPAC name is 5-amino-N-[6-(C,N-dimethylcarbonimidoyl)-2-pyridinyl]-2,4-difluorobenzamide;ethane;2-methylpropane;propane.

Molecular Properties

Compound Name5-amino-N-[6-(C,N-dimethylcarbonimidoyl)-2-pyridinyl]-2,4-difluorobenzamide;ethane;2-methylpropane;propane
PubChem CID172597122
Molecular FormulaC24H38F2N4O
Molecular Weight436.59 g/mol
Exact Mass436.30
IUPAC Name5-amino-N-[6-(C,N-dimethylcarbonimidoyl)-2-pyridinyl]-2,4-difluorobenzamide;ethane;2-methylpropane;propane
SMILESC/N=C(\C)c1cccc(NC(=O)c2cc(N)c(F)cc2F)n1.CC.CC(C)C.CCC
InChIInChI=1S/C15H14F2N4O.C4H10.C3H8.C2H6/c1-8(19-2)13-4-3-5-14(20-13)21-15(22)9-6-12(18)11(17)7-10(9)16;1-4(2)3;1-3-2;1-2/h3-7H,18H2,1-2H3,(H,20,21,22);4H,1-3H3;3H2,1-2H3;1-2H3/b19-8+;;;
InChIKeyDAMPFTGUGUYHHG-ZVNSOFHTSA-N
XLogP6.74
TPSA80.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.59
LogP ≤ 56.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[6-(C,N-dimethylcarbonimidoyl)-2-pyridinyl]-2,4-difluorobenzamide;ethane;2-methylpropane;propane?
The IUPAC name of 5-amino-N-[6-(C,N-dimethylcarbonimidoyl)-2-pyridinyl]-2,4-difluorobenzamide;ethane;2-methylpropane;propane (CID 172597122) is 5-amino-N-[6-(C,N-dimethylcarbonimidoyl)-2-pyridinyl]-2,4-difluorobenzamide;ethane;2-methylpropane;propane.
What is the SMILES notation for 5-amino-N-[6-(C,N-dimethylcarbonimidoyl)-2-pyridinyl]-2,4-difluorobenzamide;ethane;2-methylpropane;propane?
The canonical SMILES for 5-amino-N-[6-(C,N-dimethylcarbonimidoyl)-2-pyridinyl]-2,4-difluorobenzamide;ethane;2-methylpropane;propane is C/N=C(\C)c1cccc(NC(=O)c2cc(N)c(F)cc2F)n1.CC.CC(C)C.CCC.
What is the InChIKey of 5-amino-N-[6-(C,N-dimethylcarbonimidoyl)-2-pyridinyl]-2,4-difluorobenzamide;ethane;2-methylpropane;propane?
The InChIKey is DAMPFTGUGUYHHG-ZVNSOFHTSA-N. The full InChI is InChI=1S/C15H14F2N4O.C4H10.C3H8.C2H6/c1-8(19-2)13-4-3-5-14(20-13)21-15(22)9-6-12(18)11(17)7-10(9)16;1-4(2)3;1-3-2;1-2/h3-7H,18H2,1-2H3,(H,20,21,22);4H,1-3H3;3H2,1-2H3;1-2H3/b19-8+;;;.
What are the key properties of 5-amino-N-[6-(C,N-dimethylcarbonimidoyl)-2-pyridinyl]-2,4-difluorobenzamide;ethane;2-methylpropane;propane?
5-amino-N-[6-(C,N-dimethylcarbonimidoyl)-2-pyridinyl]-2,4-difluorobenzamide;ethane;2-methylpropane;propane has a molecular weight of 436.59 g/mol, XLogP of 6.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[6-(C,N-dimethylcarbonimidoyl)-2-pyridinyl]-2,4-difluorobenzamide;ethane;2-methylpropane;propane is sourced from PubChem (CID 172597122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).