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

C16H16ClN3O3 — CID 18109459

IUPAC4-chloro-N-[4-[(3-hydroxy-2-pyridinyl)amino]-4-oxobutyl]benzamide
SMILESO=C(CCCNC(=O)c1ccc(Cl)cc1)Nc1ncccc1O
InChIInChI=1S/C16H16ClN3O3/c17-12-7-5-11(6-8-12)16(23)19-10-2-4-14(22)20-15-13(21)3-1-9-18-15/h1,3,5-9,21H,2,4,10H2,(H,19,23)(H,18,20,22)
InChIKeyZZHXNWHHDPORMZ-UHFFFAOYSA-N
MW333.78 g/mol
LogP2.59
Rot. Bonds6

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

4-chloro-N-[4-[(3-hydroxy-2-pyridinyl)amino]-4-oxobutyl]benzamide (PubChem CID 18109459) has the molecular formula C16H16ClN3O3 and a molecular weight of 333.78 g/mol. Its IUPAC name is 4-chloro-N-[4-[(3-hydroxy-2-pyridinyl)amino]-4-oxobutyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[4-[(3-hydroxy-2-pyridinyl)amino]-4-oxobutyl]benzamide
PubChem CID18109459
Molecular FormulaC16H16ClN3O3
Molecular Weight333.78 g/mol
Exact Mass333.09
IUPAC Name4-chloro-N-[4-[(3-hydroxy-2-pyridinyl)amino]-4-oxobutyl]benzamide
SMILESO=C(CCCNC(=O)c1ccc(Cl)cc1)Nc1ncccc1O
InChIInChI=1S/C16H16ClN3O3/c17-12-7-5-11(6-8-12)16(23)19-10-2-4-14(22)20-15-13(21)3-1-9-18-15/h1,3,5-9,21H,2,4,10H2,(H,19,23)(H,18,20,22)
InChIKeyZZHXNWHHDPORMZ-UHFFFAOYSA-N
XLogP2.59
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.78
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-[(3-hydroxy-2-pyridinyl)amino]-4-oxobutyl]benzamide?
The IUPAC name of 4-chloro-N-[4-[(3-hydroxy-2-pyridinyl)amino]-4-oxobutyl]benzamide (CID 18109459) is 4-chloro-N-[4-[(3-hydroxy-2-pyridinyl)amino]-4-oxobutyl]benzamide.
What is the SMILES notation for 4-chloro-N-[4-[(3-hydroxy-2-pyridinyl)amino]-4-oxobutyl]benzamide?
The canonical SMILES for 4-chloro-N-[4-[(3-hydroxy-2-pyridinyl)amino]-4-oxobutyl]benzamide is O=C(CCCNC(=O)c1ccc(Cl)cc1)Nc1ncccc1O.
What is the InChIKey of 4-chloro-N-[4-[(3-hydroxy-2-pyridinyl)amino]-4-oxobutyl]benzamide?
The InChIKey is ZZHXNWHHDPORMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O3/c17-12-7-5-11(6-8-12)16(23)19-10-2-4-14(22)20-15-13(21)3-1-9-18-15/h1,3,5-9,21H,2,4,10H2,(H,19,23)(H,18,20,22).
What are the key properties of 4-chloro-N-[4-[(3-hydroxy-2-pyridinyl)amino]-4-oxobutyl]benzamide?
4-chloro-N-[4-[(3-hydroxy-2-pyridinyl)amino]-4-oxobutyl]benzamide has a molecular weight of 333.78 g/mol, XLogP of 2.59, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-[(3-hydroxy-2-pyridinyl)amino]-4-oxobutyl]benzamide is sourced from PubChem (CID 18109459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).