2-N-(3-chloro-4-fluorophenyl)-4-N-cycloheptylpyridine-2,4-dicarboxamide

C20H21ClFN3O2 — CID 109089398

IUPAC2-N-(3-chloro-4-fluorophenyl)-4-N-cycloheptylpyridine-2,4-dicarboxamide
SMILESO=C(NC1CCCCCC1)c1ccnc(C(=O)Nc2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C20H21ClFN3O2/c21-16-12-15(7-8-17(16)22)25-20(27)18-11-13(9-10-23-18)19(26)24-14-5-3-1-2-4-6-14/h7-12,14H,1-6H2,(H,24,26)(H,25,27)
InChIKeyLQFDQJKAAYQGFS-UHFFFAOYSA-N
MW389.86 g/mol
LogP4.58
Rot. Bonds4

About 2-N-(3-chloro-4-fluorophenyl)-4-N-cycloheptylpyridine-2,4-dicarboxamide

2-N-(3-chloro-4-fluorophenyl)-4-N-cycloheptylpyridine-2,4-dicarboxamide (PubChem CID 109089398) has the molecular formula C20H21ClFN3O2 and a molecular weight of 389.86 g/mol. Its IUPAC name is 2-N-(3-chloro-4-fluorophenyl)-4-N-cycloheptylpyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-(3-chloro-4-fluorophenyl)-4-N-cycloheptylpyridine-2,4-dicarboxamide
PubChem CID109089398
Molecular FormulaC20H21ClFN3O2
Molecular Weight389.86 g/mol
Exact Mass389.13
IUPAC Name2-N-(3-chloro-4-fluorophenyl)-4-N-cycloheptylpyridine-2,4-dicarboxamide
SMILESO=C(NC1CCCCCC1)c1ccnc(C(=O)Nc2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C20H21ClFN3O2/c21-16-12-15(7-8-17(16)22)25-20(27)18-11-13(9-10-23-18)19(26)24-14-5-3-1-2-4-6-14/h7-12,14H,1-6H2,(H,24,26)(H,25,27)
InChIKeyLQFDQJKAAYQGFS-UHFFFAOYSA-N
XLogP4.58
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.86
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-N-(3-chloro-4-fluorophenyl)-4-N-cycloheptylpyridine-2,4-dicarboxamide 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-N-(3-chloro-4-fluorophenyl)-4-N-cyclopentylpyridine-2,4-dicarboxamide
CID 109080795
4-N-(3-chloro-4-fluorophenyl)-2-N-cyclopropylpyridine-2,4-dicarboxamide
CID 109078718
4-N-(3-chloro-4-methylphenyl)-2-N-cyclopentylpyridine-2,4-dicarboxamide
CID 109080961
2-N-(3-chloro-4-methylphenyl)-4-N-cyclopropylpyridine-2,4-dicarboxamide
CID 109078522
2-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-N-cyclopropylpyridine-2,4-dicarboxamide
CID 109078576
2-N-cyclopentyl-4-N-(3,5-dichlorophenyl)pyridine-2,4-dicarboxamide
CID 109081008
4-N-cyclopentyl-2-N-(4-propan-2-ylphenyl)pyridine-2,4-dicarboxamide
CID 109080780
4-N-cyclohexyl-2-N-(3,5-dimethylphenyl)pyridine-2,4-dicarboxamide
CID 109081429
4-N-(3-chloro-4-fluorophenyl)-2-N-(4-methylphenyl)pyridine-2,4-dicarboxamide
CID 109091357
2-N-cyclohexyl-4-N-(2,4-dichlorophenyl)pyridine-2,4-dicarboxamide
CID 109081635
4-N-cyclohexyl-2-N-(2,4-difluorophenyl)pyridine-2,4-dicarboxamide
CID 109081485
2-N-(3-chloro-4-fluorophenyl)-4-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109083201

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-chloro-4-fluorophenyl)-4-N-cycloheptylpyridine-2,4-dicarboxamide?
The IUPAC name of 2-N-(3-chloro-4-fluorophenyl)-4-N-cycloheptylpyridine-2,4-dicarboxamide (CID 109089398) is 2-N-(3-chloro-4-fluorophenyl)-4-N-cycloheptylpyridine-2,4-dicarboxamide.
What is the SMILES notation for 2-N-(3-chloro-4-fluorophenyl)-4-N-cycloheptylpyridine-2,4-dicarboxamide?
The canonical SMILES for 2-N-(3-chloro-4-fluorophenyl)-4-N-cycloheptylpyridine-2,4-dicarboxamide is O=C(NC1CCCCCC1)c1ccnc(C(=O)Nc2ccc(F)c(Cl)c2)c1.
What is the InChIKey of 2-N-(3-chloro-4-fluorophenyl)-4-N-cycloheptylpyridine-2,4-dicarboxamide?
The InChIKey is LQFDQJKAAYQGFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClFN3O2/c21-16-12-15(7-8-17(16)22)25-20(27)18-11-13(9-10-23-18)19(26)24-14-5-3-1-2-4-6-14/h7-12,14H,1-6H2,(H,24,26)(H,25,27).
What are the key properties of 2-N-(3-chloro-4-fluorophenyl)-4-N-cycloheptylpyridine-2,4-dicarboxamide?
2-N-(3-chloro-4-fluorophenyl)-4-N-cycloheptylpyridine-2,4-dicarboxamide has a molecular weight of 389.86 g/mol, XLogP of 4.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-chloro-4-fluorophenyl)-4-N-cycloheptylpyridine-2,4-dicarboxamide is sourced from PubChem (CID 109089398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).