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

C18H17ClFN3O2 — CID 109080795

IUPAC2-N-(3-chloro-4-fluorophenyl)-4-N-cyclopentylpyridine-2,4-dicarboxamide
SMILESO=C(NC1CCCC1)c1ccnc(C(=O)Nc2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C18H17ClFN3O2/c19-14-10-13(5-6-15(14)20)23-18(25)16-9-11(7-8-21-16)17(24)22-12-3-1-2-4-12/h5-10,12H,1-4H2,(H,22,24)(H,23,25)
InChIKeyUOUACCZCYGXEGB-UHFFFAOYSA-N
MW361.80 g/mol
LogP3.80
Rot. Bonds4

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

2-N-(3-chloro-4-fluorophenyl)-4-N-cyclopentylpyridine-2,4-dicarboxamide (PubChem CID 109080795) has the molecular formula C18H17ClFN3O2 and a molecular weight of 361.80 g/mol. Its IUPAC name is 2-N-(3-chloro-4-fluorophenyl)-4-N-cyclopentylpyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-(3-chloro-4-fluorophenyl)-4-N-cyclopentylpyridine-2,4-dicarboxamide
PubChem CID109080795
Molecular FormulaC18H17ClFN3O2
Molecular Weight361.80 g/mol
Exact Mass361.10
IUPAC Name2-N-(3-chloro-4-fluorophenyl)-4-N-cyclopentylpyridine-2,4-dicarboxamide
SMILESO=C(NC1CCCC1)c1ccnc(C(=O)Nc2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C18H17ClFN3O2/c19-14-10-13(5-6-15(14)20)23-18(25)16-9-11(7-8-21-16)17(24)22-12-3-1-2-4-12/h5-10,12H,1-4H2,(H,22,24)(H,23,25)
InChIKeyUOUACCZCYGXEGB-UHFFFAOYSA-N
XLogP3.80
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.80
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-(3-chloro-4-fluorophenyl)-4-N-cycloheptylpyridine-2,4-dicarboxamide
CID 109089398
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-(3-chloro-4-fluorophenyl)-2-N-(4-methylphenyl)pyridine-2,4-dicarboxamide
CID 109091357
2-N-(3-chloro-4-fluorophenyl)-4-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109083201
2-N-(3-chloro-4-fluorophenyl)-4-N-(3-fluorophenyl)pyridine-2,4-dicarboxamide
CID 109092972
4-N-cyclopentyl-2-N-(2,6-dichlorophenyl)pyridine-2,4-dicarboxamide
CID 109080842
2-N-(3-acetylphenyl)-4-N-cyclopentylpyridine-2,4-dicarboxamide
CID 109080814

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-chloro-4-fluorophenyl)-4-N-cyclopentylpyridine-2,4-dicarboxamide?
The IUPAC name of 2-N-(3-chloro-4-fluorophenyl)-4-N-cyclopentylpyridine-2,4-dicarboxamide (CID 109080795) is 2-N-(3-chloro-4-fluorophenyl)-4-N-cyclopentylpyridine-2,4-dicarboxamide.
What is the SMILES notation for 2-N-(3-chloro-4-fluorophenyl)-4-N-cyclopentylpyridine-2,4-dicarboxamide?
The canonical SMILES for 2-N-(3-chloro-4-fluorophenyl)-4-N-cyclopentylpyridine-2,4-dicarboxamide is O=C(NC1CCCC1)c1ccnc(C(=O)Nc2ccc(F)c(Cl)c2)c1.
What is the InChIKey of 2-N-(3-chloro-4-fluorophenyl)-4-N-cyclopentylpyridine-2,4-dicarboxamide?
The InChIKey is UOUACCZCYGXEGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClFN3O2/c19-14-10-13(5-6-15(14)20)23-18(25)16-9-11(7-8-21-16)17(24)22-12-3-1-2-4-12/h5-10,12H,1-4H2,(H,22,24)(H,23,25).
What are the key properties of 2-N-(3-chloro-4-fluorophenyl)-4-N-cyclopentylpyridine-2,4-dicarboxamide?
2-N-(3-chloro-4-fluorophenyl)-4-N-cyclopentylpyridine-2,4-dicarboxamide has a molecular weight of 361.80 g/mol, XLogP of 3.80, 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-cyclopentylpyridine-2,4-dicarboxamide is sourced from PubChem (CID 109080795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).