2-methoxy-N-[4-methyl-6-(propanoylamino)-3-pyridinyl]benzamide

C17H19N3O3 — CID 644882

IUPAC2-methoxy-N-[4-methyl-6-(propanoylamino)-3-pyridinyl]benzamide
SMILESCCC(=O)Nc1cc(C)c(NC(=O)c2ccccc2OC)cn1
InChIInChI=1S/C17H19N3O3/c1-4-16(21)20-15-9-11(2)13(10-18-15)19-17(22)12-7-5-6-8-14(12)23-3/h5-10H,4H2,1-3H3,(H,19,22)(H,18,20,21)
InChIKeyODFZQDINVLSBSG-UHFFFAOYSA-N
MW313.36 g/mol
LogP3.00
Rot. Bonds5

About 2-methoxy-N-[4-methyl-6-(propanoylamino)-3-pyridinyl]benzamide

2-methoxy-N-[4-methyl-6-(propanoylamino)-3-pyridinyl]benzamide (PubChem CID 644882) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is 2-methoxy-N-[4-methyl-6-(propanoylamino)-3-pyridinyl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[4-methyl-6-(propanoylamino)-3-pyridinyl]benzamide
PubChem CID644882
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name2-methoxy-N-[4-methyl-6-(propanoylamino)-3-pyridinyl]benzamide
SMILESCCC(=O)Nc1cc(C)c(NC(=O)c2ccccc2OC)cn1
InChIInChI=1S/C17H19N3O3/c1-4-16(21)20-15-9-11(2)13(10-18-15)19-17(22)12-7-5-6-8-14(12)23-3/h5-10H,4H2,1-3H3,(H,19,22)(H,18,20,21)
InChIKeyODFZQDINVLSBSG-UHFFFAOYSA-N
XLogP3.00
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[4-methyl-6-(propanoylamino)-3-pyridinyl]benzamide?
The IUPAC name of 2-methoxy-N-[4-methyl-6-(propanoylamino)-3-pyridinyl]benzamide (CID 644882) is 2-methoxy-N-[4-methyl-6-(propanoylamino)-3-pyridinyl]benzamide.
What is the SMILES notation for 2-methoxy-N-[4-methyl-6-(propanoylamino)-3-pyridinyl]benzamide?
The canonical SMILES for 2-methoxy-N-[4-methyl-6-(propanoylamino)-3-pyridinyl]benzamide is CCC(=O)Nc1cc(C)c(NC(=O)c2ccccc2OC)cn1.
What is the InChIKey of 2-methoxy-N-[4-methyl-6-(propanoylamino)-3-pyridinyl]benzamide?
The InChIKey is ODFZQDINVLSBSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-4-16(21)20-15-9-11(2)13(10-18-15)19-17(22)12-7-5-6-8-14(12)23-3/h5-10H,4H2,1-3H3,(H,19,22)(H,18,20,21).
What are the key properties of 2-methoxy-N-[4-methyl-6-(propanoylamino)-3-pyridinyl]benzamide?
2-methoxy-N-[4-methyl-6-(propanoylamino)-3-pyridinyl]benzamide has a molecular weight of 313.36 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[4-methyl-6-(propanoylamino)-3-pyridinyl]benzamide is sourced from PubChem (CID 644882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).