5-chloro-N-(2-chloro-4-fluorophenyl)-2-(ethylamino)pyridine-4-carboxamide

C14H12Cl2FN3O — CID 114922085

IUPAC5-chloro-N-(2-chloro-4-fluorophenyl)-2-(ethylamino)pyridine-4-carboxamide
SMILESCCNc1cc(C(=O)Nc2ccc(F)cc2Cl)c(Cl)cn1
InChIInChI=1S/C14H12Cl2FN3O/c1-2-18-13-6-9(11(16)7-19-13)14(21)20-12-4-3-8(17)5-10(12)15/h3-7H,2H2,1H3,(H,18,19)(H,20,21)
InChIKeyKLIQRWSKZSMGLP-UHFFFAOYSA-N
MW328.17 g/mol
LogP4.21
Rot. Bonds4

About 5-chloro-N-(2-chloro-4-fluorophenyl)-2-(ethylamino)pyridine-4-carboxamide

5-chloro-N-(2-chloro-4-fluorophenyl)-2-(ethylamino)pyridine-4-carboxamide (PubChem CID 114922085) has the molecular formula C14H12Cl2FN3O and a molecular weight of 328.17 g/mol. Its IUPAC name is 5-chloro-N-(2-chloro-4-fluorophenyl)-2-(ethylamino)pyridine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(2-chloro-4-fluorophenyl)-2-(ethylamino)pyridine-4-carboxamide
PubChem CID114922085
Molecular FormulaC14H12Cl2FN3O
Molecular Weight328.17 g/mol
Exact Mass327.03
IUPAC Name5-chloro-N-(2-chloro-4-fluorophenyl)-2-(ethylamino)pyridine-4-carboxamide
SMILESCCNc1cc(C(=O)Nc2ccc(F)cc2Cl)c(Cl)cn1
InChIInChI=1S/C14H12Cl2FN3O/c1-2-18-13-6-9(11(16)7-19-13)14(21)20-12-4-3-8(17)5-10(12)15/h3-7H,2H2,1H3,(H,18,19)(H,20,21)
InChIKeyKLIQRWSKZSMGLP-UHFFFAOYSA-N
XLogP4.21
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.17
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-(ethylamino)-N-(5-fluoro-2-pyridinyl)pyridine-4-carboxamide
CID 114923893
5-chloro-N-(2,4-dibromophenyl)-2-(ethylamino)pyridine-4-carboxamide
CID 114923151
5-chloro-N-(2,6-dimethyl-3-pyridinyl)-2-(ethylamino)pyridine-4-carboxamide
CID 114924077
5-chloro-N-(2-chloro-4-fluorophenyl)-2-(ethylamino)benzamide
CID 62166687
N-(2-bromo-4-fluorophenyl)-5-chloro-2-(methylamino)pyridine-4-carboxamide
CID 114922037
5-chloro-2-(ethylamino)-N-(3-ethylpentan-3-yl)pyridine-4-carboxamide
CID 114923855
5-chloro-2-(ethylamino)-N-(4-fluorophenyl)-N-methylpyridine-4-carboxamide
CID 114922724
2,5-dichloro-N-(4-fluoro-2-methylphenyl)pyridine-4-carboxamide
CID 114917077
N-(2-chloro-4-iodophenyl)-6-(ethylamino)pyridine-3-carboxamide
CID 107606045
N-(2-chloro-4-fluorophenyl)-4-(propylamino)pyridine-3-carboxamide
CID 81237149
5-chloro-N-cyclohexyl-2-(ethylamino)pyridine-4-carboxamide
CID 114921677
N-(4-bromo-2-chlorophenyl)-5-chloro-2-(methylamino)pyridine-4-carboxamide
CID 114922117

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-chloro-4-fluorophenyl)-2-(ethylamino)pyridine-4-carboxamide?
The IUPAC name of 5-chloro-N-(2-chloro-4-fluorophenyl)-2-(ethylamino)pyridine-4-carboxamide (CID 114922085) is 5-chloro-N-(2-chloro-4-fluorophenyl)-2-(ethylamino)pyridine-4-carboxamide.
What is the SMILES notation for 5-chloro-N-(2-chloro-4-fluorophenyl)-2-(ethylamino)pyridine-4-carboxamide?
The canonical SMILES for 5-chloro-N-(2-chloro-4-fluorophenyl)-2-(ethylamino)pyridine-4-carboxamide is CCNc1cc(C(=O)Nc2ccc(F)cc2Cl)c(Cl)cn1.
What is the InChIKey of 5-chloro-N-(2-chloro-4-fluorophenyl)-2-(ethylamino)pyridine-4-carboxamide?
The InChIKey is KLIQRWSKZSMGLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2FN3O/c1-2-18-13-6-9(11(16)7-19-13)14(21)20-12-4-3-8(17)5-10(12)15/h3-7H,2H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 5-chloro-N-(2-chloro-4-fluorophenyl)-2-(ethylamino)pyridine-4-carboxamide?
5-chloro-N-(2-chloro-4-fluorophenyl)-2-(ethylamino)pyridine-4-carboxamide has a molecular weight of 328.17 g/mol, XLogP of 4.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-chloro-4-fluorophenyl)-2-(ethylamino)pyridine-4-carboxamide is sourced from PubChem (CID 114922085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).