3-acetamido-N-[5-(hydroxymethyl)-2-pyridinyl]benzamide

C15H15N3O3 — CID 82343720

IUPAC3-acetamido-N-[5-(hydroxymethyl)-2-pyridinyl]benzamide
SMILESCC(=O)Nc1cccc(C(=O)Nc2ccc(CO)cn2)c1
InChIInChI=1S/C15H15N3O3/c1-10(20)17-13-4-2-3-12(7-13)15(21)18-14-6-5-11(9-19)8-16-14/h2-8,19H,9H2,1H3,(H,17,20)(H,16,18,21)
InChIKeyHUKKRXDDYVISFM-UHFFFAOYSA-N
MW285.30 g/mol
LogP1.78
Rot. Bonds4

About 3-acetamido-N-[5-(hydroxymethyl)-2-pyridinyl]benzamide

3-acetamido-N-[5-(hydroxymethyl)-2-pyridinyl]benzamide (PubChem CID 82343720) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 3-acetamido-N-[5-(hydroxymethyl)-2-pyridinyl]benzamide.

Molecular Properties

Compound Name3-acetamido-N-[5-(hydroxymethyl)-2-pyridinyl]benzamide
PubChem CID82343720
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name3-acetamido-N-[5-(hydroxymethyl)-2-pyridinyl]benzamide
SMILESCC(=O)Nc1cccc(C(=O)Nc2ccc(CO)cn2)c1
InChIInChI=1S/C15H15N3O3/c1-10(20)17-13-4-2-3-12(7-13)15(21)18-14-6-5-11(9-19)8-16-14/h2-8,19H,9H2,1H3,(H,17,20)(H,16,18,21)
InChIKeyHUKKRXDDYVISFM-UHFFFAOYSA-N
XLogP1.78
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[5-(hydroxymethyl)-2-pyridinyl]benzamide?
The IUPAC name of 3-acetamido-N-[5-(hydroxymethyl)-2-pyridinyl]benzamide (CID 82343720) is 3-acetamido-N-[5-(hydroxymethyl)-2-pyridinyl]benzamide.
What is the SMILES notation for 3-acetamido-N-[5-(hydroxymethyl)-2-pyridinyl]benzamide?
The canonical SMILES for 3-acetamido-N-[5-(hydroxymethyl)-2-pyridinyl]benzamide is CC(=O)Nc1cccc(C(=O)Nc2ccc(CO)cn2)c1.
What is the InChIKey of 3-acetamido-N-[5-(hydroxymethyl)-2-pyridinyl]benzamide?
The InChIKey is HUKKRXDDYVISFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-10(20)17-13-4-2-3-12(7-13)15(21)18-14-6-5-11(9-19)8-16-14/h2-8,19H,9H2,1H3,(H,17,20)(H,16,18,21).
What are the key properties of 3-acetamido-N-[5-(hydroxymethyl)-2-pyridinyl]benzamide?
3-acetamido-N-[5-(hydroxymethyl)-2-pyridinyl]benzamide has a molecular weight of 285.30 g/mol, XLogP of 1.78, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[5-(hydroxymethyl)-2-pyridinyl]benzamide is sourced from PubChem (CID 82343720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).