N-(6-chloro-3-pyridinyl)-4-(3-hydroxybutanoylamino)benzamide

C16H16ClN3O3 — CID 110178942

IUPACN-(6-chloro-3-pyridinyl)-4-(3-hydroxybutanoylamino)benzamide
SMILESCC(O)CC(=O)Nc1ccc(C(=O)Nc2ccc(Cl)nc2)cc1
InChIInChI=1S/C16H16ClN3O3/c1-10(21)8-15(22)19-12-4-2-11(3-5-12)16(23)20-13-6-7-14(17)18-9-13/h2-7,9-10,21H,8H2,1H3,(H,19,22)(H,20,23)
InChIKeyPBBCLSKUMHCJSZ-UHFFFAOYSA-N
MW333.78 g/mol
LogP2.70
Rot. Bonds5

About N-(6-chloro-3-pyridinyl)-4-(3-hydroxybutanoylamino)benzamide

N-(6-chloro-3-pyridinyl)-4-(3-hydroxybutanoylamino)benzamide (PubChem CID 110178942) has the molecular formula C16H16ClN3O3 and a molecular weight of 333.78 g/mol. Its IUPAC name is N-(6-chloro-3-pyridinyl)-4-(3-hydroxybutanoylamino)benzamide.

Molecular Properties

Compound NameN-(6-chloro-3-pyridinyl)-4-(3-hydroxybutanoylamino)benzamide
PubChem CID110178942
Molecular FormulaC16H16ClN3O3
Molecular Weight333.78 g/mol
Exact Mass333.09
IUPAC NameN-(6-chloro-3-pyridinyl)-4-(3-hydroxybutanoylamino)benzamide
SMILESCC(O)CC(=O)Nc1ccc(C(=O)Nc2ccc(Cl)nc2)cc1
InChIInChI=1S/C16H16ClN3O3/c1-10(21)8-15(22)19-12-4-2-11(3-5-12)16(23)20-13-6-7-14(17)18-9-13/h2-7,9-10,21H,8H2,1H3,(H,19,22)(H,20,23)
InChIKeyPBBCLSKUMHCJSZ-UHFFFAOYSA-N
XLogP2.70
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.78
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-(6-chloro-3-pyridinyl)-4-(3-hydroxybutanoylamino)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(6-chloro-3-pyridinyl)-4-(2-methylpropoxy)benzamide
CID 54787953
N-(6-chloro-3-pyridinyl)-4-hydroxybenzamide
CID 103875090
N-(6-chloro-3-pyridinyl)-4-(3-methylbutoxy)benzamide
CID 54787994
N-(6-chloro-3-pyridinyl)-4-ethoxybenzamide
CID 54787908
4-butoxy-N-(6-chloro-3-pyridinyl)benzamide
CID 54787952
N-(4-butan-2-ylphenyl)-6-chloropyridine-3-carboxamide
CID 4555488
N-(6-chloro-3-pyridinyl)-4-(trifluoromethyl)benzamide
CID 3719290
N-[4-(1-aminoethyl)phenyl]-6-chloropyridine-3-carboxamide
CID 87629972
N-[4-(3-methylbutanoylamino)phenyl]-4-propan-2-ylbenzamide
CID 17194143
N-(6-bromo-3-pyridinyl)-6-chloropyridine-3-carboxamide
CID 103789282
6-bromo-N-(6-chloro-3-pyridinyl)pyridine-3-carboxamide
CID 79420958
6-chloro-N-(2-chloropyrimidin-5-yl)pyridine-3-carboxamide
CID 10125350

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-3-pyridinyl)-4-(3-hydroxybutanoylamino)benzamide?
The IUPAC name of N-(6-chloro-3-pyridinyl)-4-(3-hydroxybutanoylamino)benzamide (CID 110178942) is N-(6-chloro-3-pyridinyl)-4-(3-hydroxybutanoylamino)benzamide.
What is the SMILES notation for N-(6-chloro-3-pyridinyl)-4-(3-hydroxybutanoylamino)benzamide?
The canonical SMILES for N-(6-chloro-3-pyridinyl)-4-(3-hydroxybutanoylamino)benzamide is CC(O)CC(=O)Nc1ccc(C(=O)Nc2ccc(Cl)nc2)cc1.
What is the InChIKey of N-(6-chloro-3-pyridinyl)-4-(3-hydroxybutanoylamino)benzamide?
The InChIKey is PBBCLSKUMHCJSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O3/c1-10(21)8-15(22)19-12-4-2-11(3-5-12)16(23)20-13-6-7-14(17)18-9-13/h2-7,9-10,21H,8H2,1H3,(H,19,22)(H,20,23).
What are the key properties of N-(6-chloro-3-pyridinyl)-4-(3-hydroxybutanoylamino)benzamide?
N-(6-chloro-3-pyridinyl)-4-(3-hydroxybutanoylamino)benzamide has a molecular weight of 333.78 g/mol, XLogP of 2.70, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-3-pyridinyl)-4-(3-hydroxybutanoylamino)benzamide is sourced from PubChem (CID 110178942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).