6-(ethylcarbamoylamino)-4-(3-methylanilino)-N-(3-methylphenyl)pyridine-3-carboxamide

C23H25N5O2 — CID 71623038

IUPAC6-(ethylcarbamoylamino)-4-(3-methylanilino)-N-(3-methylphenyl)pyridine-3-carboxamide
SMILESCCNC(=O)Nc1cc(Nc2cccc(C)c2)c(C(=O)Nc2cccc(C)c2)cn1
InChIInChI=1S/C23H25N5O2/c1-4-24-23(30)28-21-13-20(26-17-9-5-7-15(2)11-17)19(14-25-21)22(29)27-18-10-6-8-16(3)12-18/h5-14H,4H2,1-3H3,(H,27,29)(H3,24,25,26,28,30)
InChIKeyXQEFOQFUHGWPSD-UHFFFAOYSA-N
MW403.49 g/mol
LogP4.84
Rot. Bonds6

About 6-(ethylcarbamoylamino)-4-(3-methylanilino)-N-(3-methylphenyl)pyridine-3-carboxamide

6-(ethylcarbamoylamino)-4-(3-methylanilino)-N-(3-methylphenyl)pyridine-3-carboxamide (PubChem CID 71623038) has the molecular formula C23H25N5O2 and a molecular weight of 403.49 g/mol. Its IUPAC name is 6-(ethylcarbamoylamino)-4-(3-methylanilino)-N-(3-methylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(ethylcarbamoylamino)-4-(3-methylanilino)-N-(3-methylphenyl)pyridine-3-carboxamide
PubChem CID71623038
Molecular FormulaC23H25N5O2
Molecular Weight403.49 g/mol
Exact Mass403.20
IUPAC Name6-(ethylcarbamoylamino)-4-(3-methylanilino)-N-(3-methylphenyl)pyridine-3-carboxamide
SMILESCCNC(=O)Nc1cc(Nc2cccc(C)c2)c(C(=O)Nc2cccc(C)c2)cn1
InChIInChI=1S/C23H25N5O2/c1-4-24-23(30)28-21-13-20(26-17-9-5-7-15(2)11-17)19(14-25-21)22(29)27-18-10-6-8-16(3)12-18/h5-14H,4H2,1-3H3,(H,27,29)(H3,24,25,26,28,30)
InChIKeyXQEFOQFUHGWPSD-UHFFFAOYSA-N
XLogP4.84
TPSA95.15 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 54.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(ethylcarbamoylamino)-4-(3-methylanilino)-N-(3-methylphenyl)pyridine-3-carboxamide?
The IUPAC name of 6-(ethylcarbamoylamino)-4-(3-methylanilino)-N-(3-methylphenyl)pyridine-3-carboxamide (CID 71623038) is 6-(ethylcarbamoylamino)-4-(3-methylanilino)-N-(3-methylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(ethylcarbamoylamino)-4-(3-methylanilino)-N-(3-methylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 6-(ethylcarbamoylamino)-4-(3-methylanilino)-N-(3-methylphenyl)pyridine-3-carboxamide is CCNC(=O)Nc1cc(Nc2cccc(C)c2)c(C(=O)Nc2cccc(C)c2)cn1.
What is the InChIKey of 6-(ethylcarbamoylamino)-4-(3-methylanilino)-N-(3-methylphenyl)pyridine-3-carboxamide?
The InChIKey is XQEFOQFUHGWPSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2/c1-4-24-23(30)28-21-13-20(26-17-9-5-7-15(2)11-17)19(14-25-21)22(29)27-18-10-6-8-16(3)12-18/h5-14H,4H2,1-3H3,(H,27,29)(H3,24,25,26,28,30).
What are the key properties of 6-(ethylcarbamoylamino)-4-(3-methylanilino)-N-(3-methylphenyl)pyridine-3-carboxamide?
6-(ethylcarbamoylamino)-4-(3-methylanilino)-N-(3-methylphenyl)pyridine-3-carboxamide has a molecular weight of 403.49 g/mol, XLogP of 4.84, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(ethylcarbamoylamino)-4-(3-methylanilino)-N-(3-methylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 71623038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).