3,4,5-trimethoxy-N-[4-methyl-6-(2-methylpropanoylamino)-3-pyridinyl]benzamide

C20H25N3O5 — CID 648353

IUPAC3,4,5-trimethoxy-N-[4-methyl-6-(2-methylpropanoylamino)-3-pyridinyl]benzamide
SMILESCOc1cc(C(=O)Nc2cnc(NC(=O)C(C)C)cc2C)cc(OC)c1OC
InChIInChI=1S/C20H25N3O5/c1-11(2)19(24)23-17-7-12(3)14(10-21-17)22-20(25)13-8-15(26-4)18(28-6)16(9-13)27-5/h7-11H,1-6H3,(H,22,25)(H,21,23,24)
InChIKeyZXFUIXYFFIZARY-UHFFFAOYSA-N
MW387.44 g/mol
LogP3.26
Rot. Bonds7

About 3,4,5-trimethoxy-N-[4-methyl-6-(2-methylpropanoylamino)-3-pyridinyl]benzamide

3,4,5-trimethoxy-N-[4-methyl-6-(2-methylpropanoylamino)-3-pyridinyl]benzamide (PubChem CID 648353) has the molecular formula C20H25N3O5 and a molecular weight of 387.44 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[4-methyl-6-(2-methylpropanoylamino)-3-pyridinyl]benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-[4-methyl-6-(2-methylpropanoylamino)-3-pyridinyl]benzamide
PubChem CID648353
Molecular FormulaC20H25N3O5
Molecular Weight387.44 g/mol
Exact Mass387.18
IUPAC Name3,4,5-trimethoxy-N-[4-methyl-6-(2-methylpropanoylamino)-3-pyridinyl]benzamide
SMILESCOc1cc(C(=O)Nc2cnc(NC(=O)C(C)C)cc2C)cc(OC)c1OC
InChIInChI=1S/C20H25N3O5/c1-11(2)19(24)23-17-7-12(3)14(10-21-17)22-20(25)13-8-15(26-4)18(28-6)16(9-13)27-5/h7-11H,1-6H3,(H,22,25)(H,21,23,24)
InChIKeyZXFUIXYFFIZARY-UHFFFAOYSA-N
XLogP3.26
TPSA98.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-((3-acrylamido-4-methylphenyl)amino)-N-(2-methyl-5-(3,4,5-trimethoxybenzamido)phenyl)-4-(methylamino)pyrimidine-5-carboxamide
CID 122633900
N-(2-Pyridinyl)-1,3-benzodioxole-5-carboxamide
CID 591105
Ketone, 4-(2-pyridyl)piperazinyl 3,4,5-trimethoxyphenyl
CID 28761
4-[6-(3,4,5-Trimethoxyanilino)pyrazin-2-yl]benzamide
CID 11696578
N-(3-{Imidazo[1,2-A]pyrimidin-2-YL}phenyl)-3,4,5-trimethoxybenzamide
CID 5304380
3,4,5-trimethoxy-N-3-pyridylbenzamide
CID 678080
Piperazine, 1-(2-pyridyl)-4-(3,4,5-trimethoxycinnamoyl)-
CID 6445118
2,4-dimethoxy-N-(5-methylpyridin-2-yl)benzamide
CID 649849
4-(Propan-2-yloxy)-N-(pyridin-2-YL)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 16015944
2-(3,4-dimethoxyphenyl)-N-(4-methyl-2-pyridinyl)acetamide
CID 762085
(E)-N-pyridin-3-yl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 797814
3,4,5-Trimethoxy-N-[2-[(2-pyridinylamino)carbonyl]phenyl]benzamide
CID 990988

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-[4-methyl-6-(2-methylpropanoylamino)-3-pyridinyl]benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-[4-methyl-6-(2-methylpropanoylamino)-3-pyridinyl]benzamide (CID 648353) is 3,4,5-trimethoxy-N-[4-methyl-6-(2-methylpropanoylamino)-3-pyridinyl]benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-[4-methyl-6-(2-methylpropanoylamino)-3-pyridinyl]benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-[4-methyl-6-(2-methylpropanoylamino)-3-pyridinyl]benzamide is COc1cc(C(=O)Nc2cnc(NC(=O)C(C)C)cc2C)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-[4-methyl-6-(2-methylpropanoylamino)-3-pyridinyl]benzamide?
The InChIKey is ZXFUIXYFFIZARY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O5/c1-11(2)19(24)23-17-7-12(3)14(10-21-17)22-20(25)13-8-15(26-4)18(28-6)16(9-13)27-5/h7-11H,1-6H3,(H,22,25)(H,21,23,24).
What are the key properties of 3,4,5-trimethoxy-N-[4-methyl-6-(2-methylpropanoylamino)-3-pyridinyl]benzamide?
3,4,5-trimethoxy-N-[4-methyl-6-(2-methylpropanoylamino)-3-pyridinyl]benzamide has a molecular weight of 387.44 g/mol, XLogP of 3.26, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-[4-methyl-6-(2-methylpropanoylamino)-3-pyridinyl]benzamide is sourced from PubChem (CID 648353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).