3-[2-amino-3-(3,4,5-trimethoxybenzenecarboximidoyl)-4-pyridinyl]benzamide

C22H22N4O4 — CID 123684521

IUPAC3-[2-amino-3-(3,4,5-trimethoxybenzenecarboximidoyl)-4-pyridinyl]benzamide
SMILES[H]/N=C(\c1cc(OC)c(OC)c(OC)c1)c1c(-c2cccc(C(N)=O)c2)ccnc1N
InChIInChI=1S/C22H22N4O4/c1-28-16-10-14(11-17(29-2)20(16)30-3)19(23)18-15(7-8-26-21(18)24)12-5-4-6-13(9-12)22(25)27/h4-11,23H,1-3H3,(H2,24,26)(H2,25,27)/b23-19+
InChIKeyXUTNNMJRYKEUIY-FCDQGJHFSA-N
MW406.44 g/mol
LogP2.87
Rot. Bonds7

About 3-[2-amino-3-(3,4,5-trimethoxybenzenecarboximidoyl)-4-pyridinyl]benzamide

3-[2-amino-3-(3,4,5-trimethoxybenzenecarboximidoyl)-4-pyridinyl]benzamide (PubChem CID 123684521) has the molecular formula C22H22N4O4 and a molecular weight of 406.44 g/mol. Its IUPAC name is 3-[2-amino-3-(3,4,5-trimethoxybenzenecarboximidoyl)-4-pyridinyl]benzamide.

Molecular Properties

Compound Name3-[2-amino-3-(3,4,5-trimethoxybenzenecarboximidoyl)-4-pyridinyl]benzamide
PubChem CID123684521
Molecular FormulaC22H22N4O4
Molecular Weight406.44 g/mol
Exact Mass406.16
IUPAC Name3-[2-amino-3-(3,4,5-trimethoxybenzenecarboximidoyl)-4-pyridinyl]benzamide
SMILES[H]/N=C(\c1cc(OC)c(OC)c(OC)c1)c1c(-c2cccc(C(N)=O)c2)ccnc1N
InChIInChI=1S/C22H22N4O4/c1-28-16-10-14(11-17(29-2)20(16)30-3)19(23)18-15(7-8-26-21(18)24)12-5-4-6-13(9-12)22(25)27/h4-11,23H,1-3H3,(H2,24,26)(H2,25,27)/b23-19+
InChIKeyXUTNNMJRYKEUIY-FCDQGJHFSA-N
XLogP2.87
TPSA133.54 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 3-[2-amino-3-(3,4,5-trimethoxybenzenecarboximidoyl)-4-pyridinyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2,3,4-trimethoxyphenyl)benzamide
CID 174562773
3-[[(3,4,5-trimethoxybenzoyl)amino]carbamoyl]benzamide
CID 43056910
3-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide
CID 57482985
3-[2-(3,4,5-trimethoxyanilino)-1,3-benzoxazol-7-yl]benzamide
CID 24801814
3-(2-methyl-3-pyridinyl)benzamide
CID 90167933
(3-phenylphenyl)-(3,4,5-trimethoxyphenyl)methanone
CID 53364048
3-(3-fluoro-4-methoxyphenyl)benzamide
CID 68818750
4-(3,4,5-trimethoxyphenyl)benzamide
CID 39746262
4-methoxy-3-(3-methoxyphenyl)benzamide
CID 123866555
2-(3,4,5-trimethoxyphenyl)pyridine-4-carboxylate
CID 22938063
3-[[[N'-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]carbamimidoyl]amino]methyl]benzamide
CID 111377989
3-[(3,4,5-trimethoxyphenyl)methoxy]benzenecarboximidamide
CID 82253908

Frequently Asked Questions

What is the IUPAC name of 3-[2-amino-3-(3,4,5-trimethoxybenzenecarboximidoyl)-4-pyridinyl]benzamide?
The IUPAC name of 3-[2-amino-3-(3,4,5-trimethoxybenzenecarboximidoyl)-4-pyridinyl]benzamide (CID 123684521) is 3-[2-amino-3-(3,4,5-trimethoxybenzenecarboximidoyl)-4-pyridinyl]benzamide.
What is the SMILES notation for 3-[2-amino-3-(3,4,5-trimethoxybenzenecarboximidoyl)-4-pyridinyl]benzamide?
The canonical SMILES for 3-[2-amino-3-(3,4,5-trimethoxybenzenecarboximidoyl)-4-pyridinyl]benzamide is [H]/N=C(\c1cc(OC)c(OC)c(OC)c1)c1c(-c2cccc(C(N)=O)c2)ccnc1N.
What is the InChIKey of 3-[2-amino-3-(3,4,5-trimethoxybenzenecarboximidoyl)-4-pyridinyl]benzamide?
The InChIKey is XUTNNMJRYKEUIY-FCDQGJHFSA-N. The full InChI is InChI=1S/C22H22N4O4/c1-28-16-10-14(11-17(29-2)20(16)30-3)19(23)18-15(7-8-26-21(18)24)12-5-4-6-13(9-12)22(25)27/h4-11,23H,1-3H3,(H2,24,26)(H2,25,27)/b23-19+.
What are the key properties of 3-[2-amino-3-(3,4,5-trimethoxybenzenecarboximidoyl)-4-pyridinyl]benzamide?
3-[2-amino-3-(3,4,5-trimethoxybenzenecarboximidoyl)-4-pyridinyl]benzamide has a molecular weight of 406.44 g/mol, XLogP of 2.87, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-amino-3-(3,4,5-trimethoxybenzenecarboximidoyl)-4-pyridinyl]benzamide is sourced from PubChem (CID 123684521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).