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

C17H19ClN2O2 — CID 54787994

IUPACN-(6-chloro-3-pyridinyl)-4-(3-methylbutoxy)benzamide
SMILESCC(C)CCOc1ccc(C(=O)Nc2ccc(Cl)nc2)cc1
InChIInChI=1S/C17H19ClN2O2/c1-12(2)9-10-22-15-6-3-13(4-7-15)17(21)20-14-5-8-16(18)19-11-14/h3-8,11-12H,9-10H2,1-2H3,(H,20,21)
InChIKeyPXZLSHVTKIXMFR-UHFFFAOYSA-N
MW318.80 g/mol
LogP4.41
Rot. Bonds6

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

N-(6-chloro-3-pyridinyl)-4-(3-methylbutoxy)benzamide (PubChem CID 54787994) has the molecular formula C17H19ClN2O2 and a molecular weight of 318.80 g/mol. Its IUPAC name is N-(6-chloro-3-pyridinyl)-4-(3-methylbutoxy)benzamide.

Molecular Properties

Compound NameN-(6-chloro-3-pyridinyl)-4-(3-methylbutoxy)benzamide
PubChem CID54787994
Molecular FormulaC17H19ClN2O2
Molecular Weight318.80 g/mol
Exact Mass318.11
IUPAC NameN-(6-chloro-3-pyridinyl)-4-(3-methylbutoxy)benzamide
SMILESCC(C)CCOc1ccc(C(=O)Nc2ccc(Cl)nc2)cc1
InChIInChI=1S/C17H19ClN2O2/c1-12(2)9-10-22-15-6-3-13(4-7-15)17(21)20-14-5-8-16(18)19-11-14/h3-8,11-12H,9-10H2,1-2H3,(H,20,21)
InChIKeyPXZLSHVTKIXMFR-UHFFFAOYSA-N
XLogP4.41
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.80
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(6-chloro-3-pyridinyl)-4-(3-methylbutoxy)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
4-butoxy-N-(6-chloro-3-pyridinyl)benzamide
CID 54787952
N-(6-chloro-3-pyridinyl)-4-ethoxybenzamide
CID 54787908
N-[4-(3-methylbutoxy)phenyl]-4-pentoxybenzamide
CID 4949915
N-(4-anilinophenyl)-4-(3-methylbutoxy)benzamide
CID 4948110
4-(aminomethyl)-N-[4-(3-methylbutoxy)phenyl]benzamide
CID 119331702
4-(3-methylbutoxy)-N-[4-(2-methylprop-2-enoxy)phenyl]benzamide
CID 17097690
N-[4-[2-(2-chlorophenoxy)propanoylamino]phenyl]-4-(3-methylbutoxy)benzamide
CID 43887800
3-chloro-N-[4-(3-methylbutoxy)phenyl]benzamide
CID 4949868
2-methyl-2-[4-[[4-(3-methylbutoxy)benzoyl]amino]pyrazol-1-yl]propanoic acid
CID 120696595
N-(6-chloro-3-pyridinyl)-4-(3-hydroxybutanoylamino)benzamide
CID 110178942
4-ethoxy-N-[3-(3-methylbutoxy)phenyl]benzamide
CID 17097294

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-3-pyridinyl)-4-(3-methylbutoxy)benzamide?
The IUPAC name of N-(6-chloro-3-pyridinyl)-4-(3-methylbutoxy)benzamide (CID 54787994) is N-(6-chloro-3-pyridinyl)-4-(3-methylbutoxy)benzamide.
What is the SMILES notation for N-(6-chloro-3-pyridinyl)-4-(3-methylbutoxy)benzamide?
The canonical SMILES for N-(6-chloro-3-pyridinyl)-4-(3-methylbutoxy)benzamide is CC(C)CCOc1ccc(C(=O)Nc2ccc(Cl)nc2)cc1.
What is the InChIKey of N-(6-chloro-3-pyridinyl)-4-(3-methylbutoxy)benzamide?
The InChIKey is PXZLSHVTKIXMFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O2/c1-12(2)9-10-22-15-6-3-13(4-7-15)17(21)20-14-5-8-16(18)19-11-14/h3-8,11-12H,9-10H2,1-2H3,(H,20,21).
What are the key properties of N-(6-chloro-3-pyridinyl)-4-(3-methylbutoxy)benzamide?
N-(6-chloro-3-pyridinyl)-4-(3-methylbutoxy)benzamide has a molecular weight of 318.80 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-3-pyridinyl)-4-(3-methylbutoxy)benzamide is sourced from PubChem (CID 54787994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).