3-methoxy-N-[5-(propanoylamino)-2-pyridinyl]benzamide

C16H17N3O3 — CID 646424

IUPAC3-methoxy-N-[5-(propanoylamino)-2-pyridinyl]benzamide
SMILESCCC(=O)Nc1ccc(NC(=O)c2cccc(OC)c2)nc1
InChIInChI=1S/C16H17N3O3/c1-3-15(20)18-12-7-8-14(17-10-12)19-16(21)11-5-4-6-13(9-11)22-2/h4-10H,3H2,1-2H3,(H,18,20)(H,17,19,21)
InChIKeyJYUVVMHJBCQESP-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.69
Rot. Bonds5

About 3-methoxy-N-[5-(propanoylamino)-2-pyridinyl]benzamide

3-methoxy-N-[5-(propanoylamino)-2-pyridinyl]benzamide (PubChem CID 646424) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is 3-methoxy-N-[5-(propanoylamino)-2-pyridinyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[5-(propanoylamino)-2-pyridinyl]benzamide
PubChem CID646424
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name3-methoxy-N-[5-(propanoylamino)-2-pyridinyl]benzamide
SMILESCCC(=O)Nc1ccc(NC(=O)c2cccc(OC)c2)nc1
InChIInChI=1S/C16H17N3O3/c1-3-15(20)18-12-7-8-14(17-10-12)19-16(21)11-5-4-6-13(9-11)22-2/h4-10H,3H2,1-2H3,(H,18,20)(H,17,19,21)
InChIKeyJYUVVMHJBCQESP-UHFFFAOYSA-N
XLogP2.69
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[5-(propanoylamino)-2-pyridinyl]benzamide?
The IUPAC name of 3-methoxy-N-[5-(propanoylamino)-2-pyridinyl]benzamide (CID 646424) is 3-methoxy-N-[5-(propanoylamino)-2-pyridinyl]benzamide.
What is the SMILES notation for 3-methoxy-N-[5-(propanoylamino)-2-pyridinyl]benzamide?
The canonical SMILES for 3-methoxy-N-[5-(propanoylamino)-2-pyridinyl]benzamide is CCC(=O)Nc1ccc(NC(=O)c2cccc(OC)c2)nc1.
What is the InChIKey of 3-methoxy-N-[5-(propanoylamino)-2-pyridinyl]benzamide?
The InChIKey is JYUVVMHJBCQESP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-3-15(20)18-12-7-8-14(17-10-12)19-16(21)11-5-4-6-13(9-11)22-2/h4-10H,3H2,1-2H3,(H,18,20)(H,17,19,21).
What are the key properties of 3-methoxy-N-[5-(propanoylamino)-2-pyridinyl]benzamide?
3-methoxy-N-[5-(propanoylamino)-2-pyridinyl]benzamide has a molecular weight of 299.33 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[5-(propanoylamino)-2-pyridinyl]benzamide is sourced from PubChem (CID 646424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).