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

C19H23N3O5 — CID 654653

IUPAC3,4,5-trimethoxy-N-[6-(2-methylpropanoylamino)-3-pyridinyl]benzamide
SMILESCOc1cc(C(=O)Nc2ccc(NC(=O)C(C)C)nc2)cc(OC)c1OC
InChIInChI=1S/C19H23N3O5/c1-11(2)18(23)22-16-7-6-13(10-20-16)21-19(24)12-8-14(25-3)17(27-5)15(9-12)26-4/h6-11H,1-5H3,(H,21,24)(H,20,22,23)
InChIKeyZRRQEVQSMBTYNC-UHFFFAOYSA-N
MW373.41 g/mol
LogP2.95
Rot. Bonds7

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

3,4,5-trimethoxy-N-[6-(2-methylpropanoylamino)-3-pyridinyl]benzamide (PubChem CID 654653) has the molecular formula C19H23N3O5 and a molecular weight of 373.41 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[6-(2-methylpropanoylamino)-3-pyridinyl]benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-[6-(2-methylpropanoylamino)-3-pyridinyl]benzamide
PubChem CID654653
Molecular FormulaC19H23N3O5
Molecular Weight373.41 g/mol
Exact Mass373.16
IUPAC Name3,4,5-trimethoxy-N-[6-(2-methylpropanoylamino)-3-pyridinyl]benzamide
SMILESCOc1cc(C(=O)Nc2ccc(NC(=O)C(C)C)nc2)cc(OC)c1OC
InChIInChI=1S/C19H23N3O5/c1-11(2)18(23)22-16-7-6-13(10-20-16)21-19(24)12-8-14(25-3)17(27-5)15(9-12)26-4/h6-11H,1-5H3,(H,21,24)(H,20,22,23)
InChIKeyZRRQEVQSMBTYNC-UHFFFAOYSA-N
XLogP2.95
TPSA98.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 52.95
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
4-methoxy-N-pyridin-2-ylbenzamide
CID 821599
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-[3-Amino-6-(3,4,5-Trimethoxyphenyl)pyrazin-2-Yl]benzoic Acid
CID 46926534
4-{6-[(3,4,5-Trimethoxyphenyl)amino]pyrazin-2-yl}benzaldehyde
CID 11710340
4-(Propan-2-yloxy)-N-(pyridin-2-YL)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 16015944

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-[6-(2-methylpropanoylamino)-3-pyridinyl]benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-[6-(2-methylpropanoylamino)-3-pyridinyl]benzamide (CID 654653) is 3,4,5-trimethoxy-N-[6-(2-methylpropanoylamino)-3-pyridinyl]benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-[6-(2-methylpropanoylamino)-3-pyridinyl]benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-[6-(2-methylpropanoylamino)-3-pyridinyl]benzamide is COc1cc(C(=O)Nc2ccc(NC(=O)C(C)C)nc2)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-[6-(2-methylpropanoylamino)-3-pyridinyl]benzamide?
The InChIKey is ZRRQEVQSMBTYNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O5/c1-11(2)18(23)22-16-7-6-13(10-20-16)21-19(24)12-8-14(25-3)17(27-5)15(9-12)26-4/h6-11H,1-5H3,(H,21,24)(H,20,22,23).
What are the key properties of 3,4,5-trimethoxy-N-[6-(2-methylpropanoylamino)-3-pyridinyl]benzamide?
3,4,5-trimethoxy-N-[6-(2-methylpropanoylamino)-3-pyridinyl]benzamide has a molecular weight of 373.41 g/mol, XLogP of 2.95, 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-[6-(2-methylpropanoylamino)-3-pyridinyl]benzamide is sourced from PubChem (CID 654653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).