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

C17H21N3O4 — CID 138006324

IUPAC2-amino-3,4,5-trimethoxy-N-[(3-methyl-2-pyridinyl)methyl]benzamide
SMILESCOc1cc(C(=O)NCc2ncccc2C)c(N)c(OC)c1OC
InChIInChI=1S/C17H21N3O4/c1-10-6-5-7-19-12(10)9-20-17(21)11-8-13(22-2)15(23-3)16(24-4)14(11)18/h5-8H,9,18H2,1-4H3,(H,20,21)
InChIKeyCYFHKIYZZSPBHQ-UHFFFAOYSA-N
MW331.37 g/mol
LogP1.93
Rot. Bonds6

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

2-amino-3,4,5-trimethoxy-N-[(3-methyl-2-pyridinyl)methyl]benzamide (PubChem CID 138006324) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is 2-amino-3,4,5-trimethoxy-N-[(3-methyl-2-pyridinyl)methyl]benzamide.

Molecular Properties

Compound Name2-amino-3,4,5-trimethoxy-N-[(3-methyl-2-pyridinyl)methyl]benzamide
PubChem CID138006324
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC Name2-amino-3,4,5-trimethoxy-N-[(3-methyl-2-pyridinyl)methyl]benzamide
SMILESCOc1cc(C(=O)NCc2ncccc2C)c(N)c(OC)c1OC
InChIInChI=1S/C17H21N3O4/c1-10-6-5-7-19-12(10)9-20-17(21)11-8-13(22-2)15(23-3)16(24-4)14(11)18/h5-8H,9,18H2,1-4H3,(H,20,21)
InChIKeyCYFHKIYZZSPBHQ-UHFFFAOYSA-N
XLogP1.93
TPSA95.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-amino-5-methoxy-N-[(3-methyl-2-pyridinyl)methyl]benzamide
CID 63304829
2-amino-3,4,5-trimethoxy-N-[(4-methylphenyl)methyl]benzamide
CID 110181256
2-hydroxy-5-methoxy-N-[(3-methyl-2-pyridinyl)methyl]benzamide
CID 63309154
2-amino-N-ethyl-3,4,5-trimethoxybenzamide
CID 18711859
4-amino-3,5-difluoro-N-[(3-methyl-2-pyridinyl)methyl]benzamide
CID 63309173
2,5-dihydroxy-N-[(3-methyl-2-pyridinyl)methyl]benzamide
CID 103892445
2-chloro-N-[(3-methyl-2-pyridinyl)methyl]pyridine-3-carboxamide
CID 63306526
4-fluoro-2-methyl-N-[(3-methyl-2-pyridinyl)methyl]benzamide
CID 113268641
5-amino-1-methyl-N-[(3-methyl-2-pyridinyl)methyl]pyrazole-4-carboxamide
CID 113288594
3-fluoro-2-hydrazinyl-N-[(3-methyl-2-pyridinyl)methyl]benzamide
CID 63309300
5-chloro-2-hydrazinyl-N-[(3-methyl-2-pyridinyl)methyl]benzamide
CID 63309175
4-bromo-N-[(3-methyl-2-pyridinyl)methyl]-2-sulfanylbenzamide
CID 107029696

Frequently Asked Questions

What is the IUPAC name of 2-amino-3,4,5-trimethoxy-N-[(3-methyl-2-pyridinyl)methyl]benzamide?
The IUPAC name of 2-amino-3,4,5-trimethoxy-N-[(3-methyl-2-pyridinyl)methyl]benzamide (CID 138006324) is 2-amino-3,4,5-trimethoxy-N-[(3-methyl-2-pyridinyl)methyl]benzamide.
What is the SMILES notation for 2-amino-3,4,5-trimethoxy-N-[(3-methyl-2-pyridinyl)methyl]benzamide?
The canonical SMILES for 2-amino-3,4,5-trimethoxy-N-[(3-methyl-2-pyridinyl)methyl]benzamide is COc1cc(C(=O)NCc2ncccc2C)c(N)c(OC)c1OC.
What is the InChIKey of 2-amino-3,4,5-trimethoxy-N-[(3-methyl-2-pyridinyl)methyl]benzamide?
The InChIKey is CYFHKIYZZSPBHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4/c1-10-6-5-7-19-12(10)9-20-17(21)11-8-13(22-2)15(23-3)16(24-4)14(11)18/h5-8H,9,18H2,1-4H3,(H,20,21).
What are the key properties of 2-amino-3,4,5-trimethoxy-N-[(3-methyl-2-pyridinyl)methyl]benzamide?
2-amino-3,4,5-trimethoxy-N-[(3-methyl-2-pyridinyl)methyl]benzamide has a molecular weight of 331.37 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,4,5-trimethoxy-N-[(3-methyl-2-pyridinyl)methyl]benzamide is sourced from PubChem (CID 138006324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).