4-anilino-6-(ethylcarbamoylamino)-N-(4-methylphenyl)pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide

C44H43F3N10O4 — CID 158104035

IUPAC4-anilino-6-(ethylcarbamoylamino)-N-(4-methylphenyl)pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESCCNC(=O)Nc1cc(Nc2ccccc2)c(C(=O)Nc2ccc(C(F)(F)F)cc2)cn1.CCNC(=O)Nc1cc(Nc2ccccc2)c(C(=O)Nc2ccc(C)cc2)cn1
InChIInChI=1S/C22H20F3N5O2.C22H23N5O2/c1-2-26-21(32)30-19-12-18(28-15-6-4-3-5-7-15)17(13-27-19)20(31)29-16-10-8-14(9-11-16)22(23,24)25;1-3-23-22(29)27-20-13-19(25-16-7-5-4-6-8-16)18(14-24-20)21(28)26-17-11-9-15(2)10-12-17/h3-13H,2H2,1H3,(H,29,31)(H3,26,27,28,30,32);4-14H,3H2,1-2H3,(H,26,28)(H3,23,24,25,27,29)
InChIKeyFPPPGYOHRMYKNF-UHFFFAOYSA-N
MW832.89 g/mol
LogP9.77
Rot. Bonds12

About 4-anilino-6-(ethylcarbamoylamino)-N-(4-methylphenyl)pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide

4-anilino-6-(ethylcarbamoylamino)-N-(4-methylphenyl)pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide (PubChem CID 158104035) has the molecular formula C44H43F3N10O4 and a molecular weight of 832.89 g/mol. Its IUPAC name is 4-anilino-6-(ethylcarbamoylamino)-N-(4-methylphenyl)pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-anilino-6-(ethylcarbamoylamino)-N-(4-methylphenyl)pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
PubChem CID158104035
Molecular FormulaC44H43F3N10O4
Molecular Weight832.89 g/mol
Exact Mass832.34
IUPAC Name4-anilino-6-(ethylcarbamoylamino)-N-(4-methylphenyl)pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESCCNC(=O)Nc1cc(Nc2ccccc2)c(C(=O)Nc2ccc(C(F)(F)F)cc2)cn1.CCNC(=O)Nc1cc(Nc2ccccc2)c(C(=O)Nc2ccc(C)cc2)cn1
InChIInChI=1S/C22H20F3N5O2.C22H23N5O2/c1-2-26-21(32)30-19-12-18(28-15-6-4-3-5-7-15)17(13-27-19)20(31)29-16-10-8-14(9-11-16)22(23,24)25;1-3-23-22(29)27-20-13-19(25-16-7-5-4-6-8-16)18(14-24-20)21(28)26-17-11-9-15(2)10-12-17/h3-13H,2H2,1H3,(H,29,31)(H3,26,27,28,30,32);4-14H,3H2,1-2H3,(H,26,28)(H3,23,24,25,27,29)
InChIKeyFPPPGYOHRMYKNF-UHFFFAOYSA-N
XLogP9.77
TPSA190.30 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms61
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500832.89
LogP ≤ 59.77
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-anilino-6-(ethylcarbamoylamino)-N-(4-methylphenyl)pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 4-anilino-6-(ethylcarbamoylamino)-N-(4-methylphenyl)pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide (CID 158104035) is 4-anilino-6-(ethylcarbamoylamino)-N-(4-methylphenyl)pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 4-anilino-6-(ethylcarbamoylamino)-N-(4-methylphenyl)pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 4-anilino-6-(ethylcarbamoylamino)-N-(4-methylphenyl)pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide is CCNC(=O)Nc1cc(Nc2ccccc2)c(C(=O)Nc2ccc(C(F)(F)F)cc2)cn1.CCNC(=O)Nc1cc(Nc2ccccc2)c(C(=O)Nc2ccc(C)cc2)cn1.
What is the InChIKey of 4-anilino-6-(ethylcarbamoylamino)-N-(4-methylphenyl)pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The InChIKey is FPPPGYOHRMYKNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N5O2.C22H23N5O2/c1-2-26-21(32)30-19-12-18(28-15-6-4-3-5-7-15)17(13-27-19)20(31)29-16-10-8-14(9-11-16)22(23,24)25;1-3-23-22(29)27-20-13-19(25-16-7-5-4-6-8-16)18(14-24-20)21(28)26-17-11-9-15(2)10-12-17/h3-13H,2H2,1H3,(H,29,31)(H3,26,27,28,30,32);4-14H,3H2,1-2H3,(H,26,28)(H3,23,24,25,27,29).
What are the key properties of 4-anilino-6-(ethylcarbamoylamino)-N-(4-methylphenyl)pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
4-anilino-6-(ethylcarbamoylamino)-N-(4-methylphenyl)pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide has a molecular weight of 832.89 g/mol, XLogP of 9.77, 12 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilino-6-(ethylcarbamoylamino)-N-(4-methylphenyl)pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 158104035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).