N-[(2-amino-6-methyl-3-pyridinyl)methyl]-3,4,5-trimethoxybenzamide

C17H21N3O4 — CID 22032

IUPACN-[(2-amino-6-methyl-3-pyridinyl)methyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)NCc2ccc(C)nc2N)cc(OC)c1OC
InChIInChI=1S/C17H21N3O4/c1-10-5-6-11(16(18)20-10)9-19-17(21)12-7-13(22-2)15(24-4)14(8-12)23-3/h5-8H,9H2,1-4H3,(H2,18,20)(H,19,21)
InChIKeyQRYWJFOBXFDERP-UHFFFAOYSA-N
MW331.37 g/mol
LogP1.93
Rot. Bonds6

About N-[(2-amino-6-methyl-3-pyridinyl)methyl]-3,4,5-trimethoxybenzamide

N-[(2-amino-6-methyl-3-pyridinyl)methyl]-3,4,5-trimethoxybenzamide (PubChem CID 22032) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is N-[(2-amino-6-methyl-3-pyridinyl)methyl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[(2-amino-6-methyl-3-pyridinyl)methyl]-3,4,5-trimethoxybenzamide
PubChem CID22032
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC NameN-[(2-amino-6-methyl-3-pyridinyl)methyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)NCc2ccc(C)nc2N)cc(OC)c1OC
InChIInChI=1S/C17H21N3O4/c1-10-5-6-11(16(18)20-10)9-19-17(21)12-7-13(22-2)15(24-4)14(8-12)23-3/h5-8H,9H2,1-4H3,(H2,18,20)(H,19,21)
InChIKeyQRYWJFOBXFDERP-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

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Frequently Asked Questions

What is the IUPAC name of N-[(2-amino-6-methyl-3-pyridinyl)methyl]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[(2-amino-6-methyl-3-pyridinyl)methyl]-3,4,5-trimethoxybenzamide (CID 22032) is N-[(2-amino-6-methyl-3-pyridinyl)methyl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[(2-amino-6-methyl-3-pyridinyl)methyl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[(2-amino-6-methyl-3-pyridinyl)methyl]-3,4,5-trimethoxybenzamide is COc1cc(C(=O)NCc2ccc(C)nc2N)cc(OC)c1OC.
What is the InChIKey of N-[(2-amino-6-methyl-3-pyridinyl)methyl]-3,4,5-trimethoxybenzamide?
The InChIKey is QRYWJFOBXFDERP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4/c1-10-5-6-11(16(18)20-10)9-19-17(21)12-7-13(22-2)15(24-4)14(8-12)23-3/h5-8H,9H2,1-4H3,(H2,18,20)(H,19,21).
What are the key properties of N-[(2-amino-6-methyl-3-pyridinyl)methyl]-3,4,5-trimethoxybenzamide?
N-[(2-amino-6-methyl-3-pyridinyl)methyl]-3,4,5-trimethoxybenzamide 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 N-[(2-amino-6-methyl-3-pyridinyl)methyl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 22032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).