4-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(2-methylpropoxy)pyridine-3-carboxamide

C18H20ClFN2O3 — CID 86295295

IUPAC4-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(2-methylpropoxy)pyridine-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2c(Cl)ccnc2OCC(C)C)cc1F
InChIInChI=1S/C18H20ClFN2O3/c1-11(2)10-25-18-16(13(19)6-7-21-18)17(23)22-9-12-4-5-15(24-3)14(20)8-12/h4-8,11H,9-10H2,1-3H3,(H,22,23)
InChIKeyJEAJUYUNFOSEMX-UHFFFAOYSA-N
MW366.82 g/mol
LogP3.85
Rot. Bonds7

About 4-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(2-methylpropoxy)pyridine-3-carboxamide

4-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(2-methylpropoxy)pyridine-3-carboxamide (PubChem CID 86295295) has the molecular formula C18H20ClFN2O3 and a molecular weight of 366.82 g/mol. Its IUPAC name is 4-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(2-methylpropoxy)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(2-methylpropoxy)pyridine-3-carboxamide
PubChem CID86295295
Molecular FormulaC18H20ClFN2O3
Molecular Weight366.82 g/mol
Exact Mass366.11
IUPAC Name4-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(2-methylpropoxy)pyridine-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2c(Cl)ccnc2OCC(C)C)cc1F
InChIInChI=1S/C18H20ClFN2O3/c1-11(2)10-25-18-16(13(19)6-7-21-18)17(23)22-9-12-4-5-15(24-3)14(20)8-12/h4-8,11H,9-10H2,1-3H3,(H,22,23)
InChIKeyJEAJUYUNFOSEMX-UHFFFAOYSA-N
XLogP3.85
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.82
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(2-methylpropoxy)pyridine-3-carboxamide 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

2-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-6-propan-2-yloxybenzamide
CID 86297319
4-chloro-2-(cyclopropylmethylamino)-N-[(3-fluoro-4-methoxyphenyl)methyl]pyridine-3-carboxamide;4-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(2-hydroxypropylamino)pyridine-3-carboxamide;ethane
CID 144727907
2-bromo-6-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide
CID 86296544
2-(4-chlorophenyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]acetamide
CID 110779980
2-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-6-[(4-methylphenyl)methylamino]benzamide
CID 144727901
2-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-6-(3-methylphenoxy)benzamide
CID 86297131
2-chloro-6-(cyclopropylmethylamino)-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide
CID 86297315
N-[(3-chloro-4-fluorophenyl)methyl]-2,6-dimethoxybenzamide
CID 110784344
N-[(4-chlorophenyl)methyl]-2-(3-fluoro-4-methoxyphenyl)acetamide
CID 9042461
2-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]butanamide
CID 110779959
4-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide
CID 110779968
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(2-methylpropyl)benzamide
CID 167945432

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(2-methylpropoxy)pyridine-3-carboxamide?
The IUPAC name of 4-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(2-methylpropoxy)pyridine-3-carboxamide (CID 86295295) is 4-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(2-methylpropoxy)pyridine-3-carboxamide.
What is the SMILES notation for 4-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(2-methylpropoxy)pyridine-3-carboxamide?
The canonical SMILES for 4-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(2-methylpropoxy)pyridine-3-carboxamide is COc1ccc(CNC(=O)c2c(Cl)ccnc2OCC(C)C)cc1F.
What is the InChIKey of 4-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(2-methylpropoxy)pyridine-3-carboxamide?
The InChIKey is JEAJUYUNFOSEMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClFN2O3/c1-11(2)10-25-18-16(13(19)6-7-21-18)17(23)22-9-12-4-5-15(24-3)14(20)8-12/h4-8,11H,9-10H2,1-3H3,(H,22,23).
What are the key properties of 4-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(2-methylpropoxy)pyridine-3-carboxamide?
4-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(2-methylpropoxy)pyridine-3-carboxamide has a molecular weight of 366.82 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(2-methylpropoxy)pyridine-3-carboxamide is sourced from PubChem (CID 86295295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).