N-(3,5-dichloro-4-fluorophenyl)-6-(ethylamino)pyridine-3-carboxamide

C14H12Cl2FN3O — CID 107578414

IUPACN-(3,5-dichloro-4-fluorophenyl)-6-(ethylamino)pyridine-3-carboxamide
SMILESCCNc1ccc(C(=O)Nc2cc(Cl)c(F)c(Cl)c2)cn1
InChIInChI=1S/C14H12Cl2FN3O/c1-2-18-12-4-3-8(7-19-12)14(21)20-9-5-10(15)13(17)11(16)6-9/h3-7H,2H2,1H3,(H,18,19)(H,20,21)
InChIKeyRYXJMHAMWUJTLU-UHFFFAOYSA-N
MW328.17 g/mol
LogP4.21
Rot. Bonds4

About N-(3,5-dichloro-4-fluorophenyl)-6-(ethylamino)pyridine-3-carboxamide

N-(3,5-dichloro-4-fluorophenyl)-6-(ethylamino)pyridine-3-carboxamide (PubChem CID 107578414) has the molecular formula C14H12Cl2FN3O and a molecular weight of 328.17 g/mol. Its IUPAC name is N-(3,5-dichloro-4-fluorophenyl)-6-(ethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3,5-dichloro-4-fluorophenyl)-6-(ethylamino)pyridine-3-carboxamide
PubChem CID107578414
Molecular FormulaC14H12Cl2FN3O
Molecular Weight328.17 g/mol
Exact Mass327.03
IUPAC NameN-(3,5-dichloro-4-fluorophenyl)-6-(ethylamino)pyridine-3-carboxamide
SMILESCCNc1ccc(C(=O)Nc2cc(Cl)c(F)c(Cl)c2)cn1
InChIInChI=1S/C14H12Cl2FN3O/c1-2-18-12-4-3-8(7-19-12)14(21)20-9-5-10(15)13(17)11(16)6-9/h3-7H,2H2,1H3,(H,18,19)(H,20,21)
InChIKeyRYXJMHAMWUJTLU-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(3-chloro-4-methylphenyl)-6-(ethylamino)pyridine-3-carboxamide
CID 62184769
6-(ethylamino)-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide
CID 62171187
N-(2-chloro-4-iodophenyl)-6-(ethylamino)pyridine-3-carboxamide
CID 107606045
6-(ethylamino)-N-(4-ethylphenyl)pyridine-3-carboxamide
CID 62166937
6-(ethylamino)-N-(4-iodophenyl)pyridine-3-carboxamide
CID 62166329
6-(ethylamino)-N-methylpyridine-3-carboxamide
CID 60732249
N-(5-chloro-2-methylphenyl)-6-(ethylamino)pyridine-3-carboxamide
CID 62184893
N-(3-chloro-2-methylphenyl)-6-(ethylamino)pyridine-3-carboxamide
CID 62186613
N-(4-bromo-3-chlorophenyl)-6-(propylamino)pyridine-3-carboxamide
CID 107616648
N-(2-chloro-5-fluorophenyl)-6-(propylamino)pyridine-3-carboxamide
CID 107531151
6-(ethylamino)-N-[4-(2-hydroxyethyl)phenyl]pyridine-3-carboxamide
CID 62181500
N-(3,5-dichloro-4-fluorophenyl)-2-(ethylamino)benzamide
CID 107575712

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-4-fluorophenyl)-6-(ethylamino)pyridine-3-carboxamide?
The IUPAC name of N-(3,5-dichloro-4-fluorophenyl)-6-(ethylamino)pyridine-3-carboxamide (CID 107578414) is N-(3,5-dichloro-4-fluorophenyl)-6-(ethylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(3,5-dichloro-4-fluorophenyl)-6-(ethylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(3,5-dichloro-4-fluorophenyl)-6-(ethylamino)pyridine-3-carboxamide is CCNc1ccc(C(=O)Nc2cc(Cl)c(F)c(Cl)c2)cn1.
What is the InChIKey of N-(3,5-dichloro-4-fluorophenyl)-6-(ethylamino)pyridine-3-carboxamide?
The InChIKey is RYXJMHAMWUJTLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2FN3O/c1-2-18-12-4-3-8(7-19-12)14(21)20-9-5-10(15)13(17)11(16)6-9/h3-7H,2H2,1H3,(H,18,19)(H,20,21).
What are the key properties of N-(3,5-dichloro-4-fluorophenyl)-6-(ethylamino)pyridine-3-carboxamide?
N-(3,5-dichloro-4-fluorophenyl)-6-(ethylamino)pyridine-3-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 N-(3,5-dichloro-4-fluorophenyl)-6-(ethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 107578414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).