4-chloro-N-[3-[(3-hydroxy-2-pyridinyl)amino]-3-oxopropyl]benzamide

C15H14ClN3O3 — CID 18109292

IUPAC4-chloro-N-[3-[(3-hydroxy-2-pyridinyl)amino]-3-oxopropyl]benzamide
SMILESO=C(CCNC(=O)c1ccc(Cl)cc1)Nc1ncccc1O
InChIInChI=1S/C15H14ClN3O3/c16-11-5-3-10(4-6-11)15(22)18-9-7-13(21)19-14-12(20)2-1-8-17-14/h1-6,8,20H,7,9H2,(H,18,22)(H,17,19,21)
InChIKeyKWEALYXAIVCTHE-UHFFFAOYSA-N
MW319.75 g/mol
LogP2.20
Rot. Bonds5

About 4-chloro-N-[3-[(3-hydroxy-2-pyridinyl)amino]-3-oxopropyl]benzamide

4-chloro-N-[3-[(3-hydroxy-2-pyridinyl)amino]-3-oxopropyl]benzamide (PubChem CID 18109292) has the molecular formula C15H14ClN3O3 and a molecular weight of 319.75 g/mol. Its IUPAC name is 4-chloro-N-[3-[(3-hydroxy-2-pyridinyl)amino]-3-oxopropyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[3-[(3-hydroxy-2-pyridinyl)amino]-3-oxopropyl]benzamide
PubChem CID18109292
Molecular FormulaC15H14ClN3O3
Molecular Weight319.75 g/mol
Exact Mass319.07
IUPAC Name4-chloro-N-[3-[(3-hydroxy-2-pyridinyl)amino]-3-oxopropyl]benzamide
SMILESO=C(CCNC(=O)c1ccc(Cl)cc1)Nc1ncccc1O
InChIInChI=1S/C15H14ClN3O3/c16-11-5-3-10(4-6-11)15(22)18-9-7-13(21)19-14-12(20)2-1-8-17-14/h1-6,8,20H,7,9H2,(H,18,22)(H,17,19,21)
InChIKeyKWEALYXAIVCTHE-UHFFFAOYSA-N
XLogP2.20
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.75
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-[(3-hydroxy-2-pyridinyl)amino]-3-oxopropyl]benzamide?
The IUPAC name of 4-chloro-N-[3-[(3-hydroxy-2-pyridinyl)amino]-3-oxopropyl]benzamide (CID 18109292) is 4-chloro-N-[3-[(3-hydroxy-2-pyridinyl)amino]-3-oxopropyl]benzamide.
What is the SMILES notation for 4-chloro-N-[3-[(3-hydroxy-2-pyridinyl)amino]-3-oxopropyl]benzamide?
The canonical SMILES for 4-chloro-N-[3-[(3-hydroxy-2-pyridinyl)amino]-3-oxopropyl]benzamide is O=C(CCNC(=O)c1ccc(Cl)cc1)Nc1ncccc1O.
What is the InChIKey of 4-chloro-N-[3-[(3-hydroxy-2-pyridinyl)amino]-3-oxopropyl]benzamide?
The InChIKey is KWEALYXAIVCTHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O3/c16-11-5-3-10(4-6-11)15(22)18-9-7-13(21)19-14-12(20)2-1-8-17-14/h1-6,8,20H,7,9H2,(H,18,22)(H,17,19,21).
What are the key properties of 4-chloro-N-[3-[(3-hydroxy-2-pyridinyl)amino]-3-oxopropyl]benzamide?
4-chloro-N-[3-[(3-hydroxy-2-pyridinyl)amino]-3-oxopropyl]benzamide has a molecular weight of 319.75 g/mol, XLogP of 2.20, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-[(3-hydroxy-2-pyridinyl)amino]-3-oxopropyl]benzamide is sourced from PubChem (CID 18109292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).