N-(6-acetamido-3-pyridinyl)-5-[[3-(3,4-dihydroxy-2-methylbutan-2-yl)benzoyl]amino]-2-methylbenzamide

C27H30N4O5 — CID 68878635

IUPACN-(6-acetamido-3-pyridinyl)-5-[[3-(3,4-dihydroxy-2-methylbutan-2-yl)benzoyl]amino]-2-methylbenzamide
SMILESCC(=O)Nc1ccc(NC(=O)c2cc(NC(=O)c3cccc(C(C)(C)C(O)CO)c3)ccc2C)cn1
InChIInChI=1S/C27H30N4O5/c1-16-8-9-20(13-22(16)26(36)31-21-10-11-24(28-14-21)29-17(2)33)30-25(35)18-6-5-7-19(12-18)27(3,4)23(34)15-32/h5-14,23,32,34H,15H2,1-4H3,(H,30,35)(H,31,36)(H,28,29,33)
InChIKeyKJOYRIRNRYURFG-UHFFFAOYSA-N
MW490.56 g/mol
LogP3.48
Rot. Bonds8

About N-(6-acetamido-3-pyridinyl)-5-[[3-(3,4-dihydroxy-2-methylbutan-2-yl)benzoyl]amino]-2-methylbenzamide

N-(6-acetamido-3-pyridinyl)-5-[[3-(3,4-dihydroxy-2-methylbutan-2-yl)benzoyl]amino]-2-methylbenzamide (PubChem CID 68878635) has the molecular formula C27H30N4O5 and a molecular weight of 490.56 g/mol. Its IUPAC name is N-(6-acetamido-3-pyridinyl)-5-[[3-(3,4-dihydroxy-2-methylbutan-2-yl)benzoyl]amino]-2-methylbenzamide.

Molecular Properties

Compound NameN-(6-acetamido-3-pyridinyl)-5-[[3-(3,4-dihydroxy-2-methylbutan-2-yl)benzoyl]amino]-2-methylbenzamide
PubChem CID68878635
Molecular FormulaC27H30N4O5
Molecular Weight490.56 g/mol
Exact Mass490.22
IUPAC NameN-(6-acetamido-3-pyridinyl)-5-[[3-(3,4-dihydroxy-2-methylbutan-2-yl)benzoyl]amino]-2-methylbenzamide
SMILESCC(=O)Nc1ccc(NC(=O)c2cc(NC(=O)c3cccc(C(C)(C)C(O)CO)c3)ccc2C)cn1
InChIInChI=1S/C27H30N4O5/c1-16-8-9-20(13-22(16)26(36)31-21-10-11-24(28-14-21)29-17(2)33)30-25(35)18-6-5-7-19(12-18)27(3,4)23(34)15-32/h5-14,23,32,34H,15H2,1-4H3,(H,30,35)(H,31,36)(H,28,29,33)
InChIKeyKJOYRIRNRYURFG-UHFFFAOYSA-N
XLogP3.48
TPSA140.65 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.56
LogP ≤ 53.48
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze N-(6-acetamido-3-pyridinyl)-5-[[3-(3,4-dihydroxy-2-methylbutan-2-yl)benzoyl]amino]-2-methylbenzamide with MolForge

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Related Compounds

5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-N-(6-fluoro-3-pyridinyl)-2-methylbenzamide
CID 68847839
N-[3-[(6-acetamido-3-pyridinyl)carbamoyl]-4-methylphenyl]-1,3,3-trimethyl-2-oxoindole-5-carboxamide
CID 68844106
N-(6-amino-5-chloro-3-pyridinyl)-5-[[3-(2-cyanobutan-2-yl)benzoyl]amino]-2-methylbenzamide
CID 68844750
N-(5-methoxy-3-pyridinyl)-2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide
CID 68845366
5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-N-(2-formyl-1,3-thiazol-5-yl)-2-methylbenzamide
CID 87763451
N-[2-[3-[di(propanoyl)amino]anilino]pyrimidin-5-yl]-2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide
CID 90644807
5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methyl-N-(2-methyl-1,3-thiazol-5-yl)benzamide;formamide
CID 138690897
N-[5-(3-hydroxyprop-1-ynyl)-3-pyridinyl]-2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide
CID 68847130
3-bromo-N-[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-pyridinyl]benzamide
CID 28902642
5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-N-[5-(methoxymethyl)-3-pyridinyl]-2-methylbenzamide
CID 68845465
5-[(3-iodobenzoyl)amino]-2-methyl-N-pyridin-3-ylbenzamide
CID 68848540
3-chloro-N-[6-[3-(dimethylamino)propylamino]-3-pyridinyl]benzamide
CID 113010961

Frequently Asked Questions

What is the IUPAC name of N-(6-acetamido-3-pyridinyl)-5-[[3-(3,4-dihydroxy-2-methylbutan-2-yl)benzoyl]amino]-2-methylbenzamide?
The IUPAC name of N-(6-acetamido-3-pyridinyl)-5-[[3-(3,4-dihydroxy-2-methylbutan-2-yl)benzoyl]amino]-2-methylbenzamide (CID 68878635) is N-(6-acetamido-3-pyridinyl)-5-[[3-(3,4-dihydroxy-2-methylbutan-2-yl)benzoyl]amino]-2-methylbenzamide.
What is the SMILES notation for N-(6-acetamido-3-pyridinyl)-5-[[3-(3,4-dihydroxy-2-methylbutan-2-yl)benzoyl]amino]-2-methylbenzamide?
The canonical SMILES for N-(6-acetamido-3-pyridinyl)-5-[[3-(3,4-dihydroxy-2-methylbutan-2-yl)benzoyl]amino]-2-methylbenzamide is CC(=O)Nc1ccc(NC(=O)c2cc(NC(=O)c3cccc(C(C)(C)C(O)CO)c3)ccc2C)cn1.
What is the InChIKey of N-(6-acetamido-3-pyridinyl)-5-[[3-(3,4-dihydroxy-2-methylbutan-2-yl)benzoyl]amino]-2-methylbenzamide?
The InChIKey is KJOYRIRNRYURFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O5/c1-16-8-9-20(13-22(16)26(36)31-21-10-11-24(28-14-21)29-17(2)33)30-25(35)18-6-5-7-19(12-18)27(3,4)23(34)15-32/h5-14,23,32,34H,15H2,1-4H3,(H,30,35)(H,31,36)(H,28,29,33).
What are the key properties of N-(6-acetamido-3-pyridinyl)-5-[[3-(3,4-dihydroxy-2-methylbutan-2-yl)benzoyl]amino]-2-methylbenzamide?
N-(6-acetamido-3-pyridinyl)-5-[[3-(3,4-dihydroxy-2-methylbutan-2-yl)benzoyl]amino]-2-methylbenzamide has a molecular weight of 490.56 g/mol, XLogP of 3.48, 8 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-acetamido-3-pyridinyl)-5-[[3-(3,4-dihydroxy-2-methylbutan-2-yl)benzoyl]amino]-2-methylbenzamide is sourced from PubChem (CID 68878635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).