4-tert-butyl-N-[3-[5-(ethylcarbamoylamino)-1-methyl-6-oxo-3-pyridinyl]-2-methylphenyl]benzamide

C27H32N4O3 — CID 25264176

IUPAC4-tert-butyl-N-[3-[5-(ethylcarbamoylamino)-1-methyl-6-oxo-3-pyridinyl]-2-methylphenyl]benzamide
SMILESCCNC(=O)Nc1cc(-c2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2C)cn(C)c1=O
InChIInChI=1S/C27H32N4O3/c1-7-28-26(34)30-23-15-19(16-31(6)25(23)33)21-9-8-10-22(17(21)2)29-24(32)18-11-13-20(14-12-18)27(3,4)5/h8-16H,7H2,1-6H3,(H,29,32)(H2,28,30,34)
InChIKeyYSFNVPVJHNAQNW-UHFFFAOYSA-N
MW460.58 g/mol
LogP5.05
Rot. Bonds5

About 4-tert-butyl-N-[3-[5-(ethylcarbamoylamino)-1-methyl-6-oxo-3-pyridinyl]-2-methylphenyl]benzamide

4-tert-butyl-N-[3-[5-(ethylcarbamoylamino)-1-methyl-6-oxo-3-pyridinyl]-2-methylphenyl]benzamide (PubChem CID 25264176) has the molecular formula C27H32N4O3 and a molecular weight of 460.58 g/mol. Its IUPAC name is 4-tert-butyl-N-[3-[5-(ethylcarbamoylamino)-1-methyl-6-oxo-3-pyridinyl]-2-methylphenyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[3-[5-(ethylcarbamoylamino)-1-methyl-6-oxo-3-pyridinyl]-2-methylphenyl]benzamide
PubChem CID25264176
Molecular FormulaC27H32N4O3
Molecular Weight460.58 g/mol
Exact Mass460.25
IUPAC Name4-tert-butyl-N-[3-[5-(ethylcarbamoylamino)-1-methyl-6-oxo-3-pyridinyl]-2-methylphenyl]benzamide
SMILESCCNC(=O)Nc1cc(-c2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2C)cn(C)c1=O
InChIInChI=1S/C27H32N4O3/c1-7-28-26(34)30-23-15-19(16-31(6)25(23)33)21-9-8-10-22(17(21)2)29-24(32)18-11-13-20(14-12-18)27(3,4)5/h8-16H,7H2,1-6H3,(H,29,32)(H2,28,30,34)
InChIKeyYSFNVPVJHNAQNW-UHFFFAOYSA-N
XLogP5.05
TPSA92.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.58
LogP ≤ 55.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[3-[5-(ethylcarbamoylamino)-1-methyl-6-oxo-3-pyridinyl]-2-methylphenyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[3-[5-(ethylcarbamoylamino)-1-methyl-6-oxo-3-pyridinyl]-2-methylphenyl]benzamide (CID 25264176) is 4-tert-butyl-N-[3-[5-(ethylcarbamoylamino)-1-methyl-6-oxo-3-pyridinyl]-2-methylphenyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[3-[5-(ethylcarbamoylamino)-1-methyl-6-oxo-3-pyridinyl]-2-methylphenyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[3-[5-(ethylcarbamoylamino)-1-methyl-6-oxo-3-pyridinyl]-2-methylphenyl]benzamide is CCNC(=O)Nc1cc(-c2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2C)cn(C)c1=O.
What is the InChIKey of 4-tert-butyl-N-[3-[5-(ethylcarbamoylamino)-1-methyl-6-oxo-3-pyridinyl]-2-methylphenyl]benzamide?
The InChIKey is YSFNVPVJHNAQNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O3/c1-7-28-26(34)30-23-15-19(16-31(6)25(23)33)21-9-8-10-22(17(21)2)29-24(32)18-11-13-20(14-12-18)27(3,4)5/h8-16H,7H2,1-6H3,(H,29,32)(H2,28,30,34).
What are the key properties of 4-tert-butyl-N-[3-[5-(ethylcarbamoylamino)-1-methyl-6-oxo-3-pyridinyl]-2-methylphenyl]benzamide?
4-tert-butyl-N-[3-[5-(ethylcarbamoylamino)-1-methyl-6-oxo-3-pyridinyl]-2-methylphenyl]benzamide has a molecular weight of 460.58 g/mol, XLogP of 5.05, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[3-[5-(ethylcarbamoylamino)-1-methyl-6-oxo-3-pyridinyl]-2-methylphenyl]benzamide is sourced from PubChem (CID 25264176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).