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

C16H13ClFN3O2 — CID 109078718

IUPAC4-N-(3-chloro-4-fluorophenyl)-2-N-cyclopropylpyridine-2,4-dicarboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)c1ccnc(C(=O)NC2CC2)c1
InChIInChI=1S/C16H13ClFN3O2/c17-12-8-11(3-4-13(12)18)21-15(22)9-5-6-19-14(7-9)16(23)20-10-1-2-10/h3-8,10H,1-2H2,(H,20,23)(H,21,22)
InChIKeyPJWUPXQIQBSNLG-UHFFFAOYSA-N
MW333.75 g/mol
LogP3.02
Rot. Bonds4

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

4-N-(3-chloro-4-fluorophenyl)-2-N-cyclopropylpyridine-2,4-dicarboxamide (PubChem CID 109078718) has the molecular formula C16H13ClFN3O2 and a molecular weight of 333.75 g/mol. Its IUPAC name is 4-N-(3-chloro-4-fluorophenyl)-2-N-cyclopropylpyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(3-chloro-4-fluorophenyl)-2-N-cyclopropylpyridine-2,4-dicarboxamide
PubChem CID109078718
Molecular FormulaC16H13ClFN3O2
Molecular Weight333.75 g/mol
Exact Mass333.07
IUPAC Name4-N-(3-chloro-4-fluorophenyl)-2-N-cyclopropylpyridine-2,4-dicarboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)c1ccnc(C(=O)NC2CC2)c1
InChIInChI=1S/C16H13ClFN3O2/c17-12-8-11(3-4-13(12)18)21-15(22)9-5-6-19-14(7-9)16(23)20-10-1-2-10/h3-8,10H,1-2H2,(H,20,23)(H,21,22)
InChIKeyPJWUPXQIQBSNLG-UHFFFAOYSA-N
XLogP3.02
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.75
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-(3-chloro-4-fluorophenyl)-4-N-cyclopentylpyridine-2,4-dicarboxamide
CID 109080795
2-N-(3-chloro-4-fluorophenyl)-4-N-cycloheptylpyridine-2,4-dicarboxamide
CID 109089398
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
4-N-(3-chloro-4-fluorophenyl)-2-N-(4-methylphenyl)pyridine-2,4-dicarboxamide
CID 109091357
4-N-[5-(5-chloro-2-fluorophenyl)-3-pyridinyl]-2-N-cyclopropylpyridine-2,4-dicarboxamide
CID 141452915
2-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-N-cyclopropylpyridine-2,4-dicarboxamide
CID 109078576
2-N-cyclopropyl-4-N-(3-fluorophenyl)pyridine-2,4-dicarboxamide
CID 109078757
2-N-(3-chloro-4-fluorophenyl)-4-N-(3-fluorophenyl)pyridine-2,4-dicarboxamide
CID 109092972
2-N-cyclopentyl-4-N-(3,5-dichlorophenyl)pyridine-2,4-dicarboxamide
CID 109081008
4-N-(3-chloro-4-fluorophenyl)-2-N-(2-fluorophenyl)pyridine-2,4-dicarboxamide
CID 109092643
4-N-(5-chloro-2-methylphenyl)-2-N-cyclopropylpyridine-2,4-dicarboxamide
CID 109078715

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-chloro-4-fluorophenyl)-2-N-cyclopropylpyridine-2,4-dicarboxamide?
The IUPAC name of 4-N-(3-chloro-4-fluorophenyl)-2-N-cyclopropylpyridine-2,4-dicarboxamide (CID 109078718) is 4-N-(3-chloro-4-fluorophenyl)-2-N-cyclopropylpyridine-2,4-dicarboxamide.
What is the SMILES notation for 4-N-(3-chloro-4-fluorophenyl)-2-N-cyclopropylpyridine-2,4-dicarboxamide?
The canonical SMILES for 4-N-(3-chloro-4-fluorophenyl)-2-N-cyclopropylpyridine-2,4-dicarboxamide is O=C(Nc1ccc(F)c(Cl)c1)c1ccnc(C(=O)NC2CC2)c1.
What is the InChIKey of 4-N-(3-chloro-4-fluorophenyl)-2-N-cyclopropylpyridine-2,4-dicarboxamide?
The InChIKey is PJWUPXQIQBSNLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFN3O2/c17-12-8-11(3-4-13(12)18)21-15(22)9-5-6-19-14(7-9)16(23)20-10-1-2-10/h3-8,10H,1-2H2,(H,20,23)(H,21,22).
What are the key properties of 4-N-(3-chloro-4-fluorophenyl)-2-N-cyclopropylpyridine-2,4-dicarboxamide?
4-N-(3-chloro-4-fluorophenyl)-2-N-cyclopropylpyridine-2,4-dicarboxamide has a molecular weight of 333.75 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-chloro-4-fluorophenyl)-2-N-cyclopropylpyridine-2,4-dicarboxamide is sourced from PubChem (CID 109078718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).