3,6-dichloro-N-ethyl-N-(4-fluorophenyl)pyridine-2-carboxamide

C14H11Cl2FN2O — CID 60659860

IUPAC3,6-dichloro-N-ethyl-N-(4-fluorophenyl)pyridine-2-carboxamide
SMILESCCN(C(=O)c1nc(Cl)ccc1Cl)c1ccc(F)cc1
InChIInChI=1S/C14H11Cl2FN2O/c1-2-19(10-5-3-9(17)4-6-10)14(20)13-11(15)7-8-12(16)18-13/h3-8H,2H2,1H3
InChIKeyNQTDPUPNJOZGSX-UHFFFAOYSA-N
MW313.16 g/mol
LogP4.19
Rot. Bonds3

About 3,6-dichloro-N-ethyl-N-(4-fluorophenyl)pyridine-2-carboxamide

3,6-dichloro-N-ethyl-N-(4-fluorophenyl)pyridine-2-carboxamide (PubChem CID 60659860) has the molecular formula C14H11Cl2FN2O and a molecular weight of 313.16 g/mol. Its IUPAC name is 3,6-dichloro-N-ethyl-N-(4-fluorophenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3,6-dichloro-N-ethyl-N-(4-fluorophenyl)pyridine-2-carboxamide
PubChem CID60659860
Molecular FormulaC14H11Cl2FN2O
Molecular Weight313.16 g/mol
Exact Mass312.02
IUPAC Name3,6-dichloro-N-ethyl-N-(4-fluorophenyl)pyridine-2-carboxamide
SMILESCCN(C(=O)c1nc(Cl)ccc1Cl)c1ccc(F)cc1
InChIInChI=1S/C14H11Cl2FN2O/c1-2-19(10-5-3-9(17)4-6-10)14(20)13-11(15)7-8-12(16)18-13/h3-8H,2H2,1H3
InChIKeyNQTDPUPNJOZGSX-UHFFFAOYSA-N
XLogP4.19
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.16
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-amino-3,5-dichloro-N-ethyl-N-(4-fluorophenyl)benzamide
CID 82811257
3-chloro-N-ethyl-N-(3-fluorophenyl)-6-(methylamino)pyridine-2-carboxamide
CID 62179071
2-(2-chlorophenyl)-N-ethyl-N-(4-fluorophenyl)acetamide
CID 60592550
4-amino-N-ethyl-N-(4-fluorophenyl)-1-methylpyrazole-3-carboxamide
CID 65354287
N-[(3,6-dichloro-2-pyridinyl)methyl]-N-ethyl-4-fluoroaniline
CID 55127157
3,6-dichloro-N-[2-(diethylamino)-2-oxoethyl]-N-methylpyridine-2-carboxamide
CID 60718086
3,6-dichloro-N-ethyl-N-prop-2-ynylpyridine-2-carboxamide
CID 78970836
N-ethyl-N-(4-fluorophenyl)-2H-triazole-4-carboxamide
CID 78969627
3-chloro-1-ethyl-1-(4-fluorophenyl)urea
CID 87646855
3,6-dichloro-N,N-bis(2-methylpropyl)pyridine-2-carboxamide
CID 60748160
N-[(3,6-dichloro-2-pyridinyl)methyl]-4-fluoro-N-methylaniline
CID 62891490
3,6-dichloro-N-methoxy-N-methylpyridine-2-carboxamide
CID 60644776

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-ethyl-N-(4-fluorophenyl)pyridine-2-carboxamide?
The IUPAC name of 3,6-dichloro-N-ethyl-N-(4-fluorophenyl)pyridine-2-carboxamide (CID 60659860) is 3,6-dichloro-N-ethyl-N-(4-fluorophenyl)pyridine-2-carboxamide.
What is the SMILES notation for 3,6-dichloro-N-ethyl-N-(4-fluorophenyl)pyridine-2-carboxamide?
The canonical SMILES for 3,6-dichloro-N-ethyl-N-(4-fluorophenyl)pyridine-2-carboxamide is CCN(C(=O)c1nc(Cl)ccc1Cl)c1ccc(F)cc1.
What is the InChIKey of 3,6-dichloro-N-ethyl-N-(4-fluorophenyl)pyridine-2-carboxamide?
The InChIKey is NQTDPUPNJOZGSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2FN2O/c1-2-19(10-5-3-9(17)4-6-10)14(20)13-11(15)7-8-12(16)18-13/h3-8H,2H2,1H3.
What are the key properties of 3,6-dichloro-N-ethyl-N-(4-fluorophenyl)pyridine-2-carboxamide?
3,6-dichloro-N-ethyl-N-(4-fluorophenyl)pyridine-2-carboxamide has a molecular weight of 313.16 g/mol, XLogP of 4.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-ethyl-N-(4-fluorophenyl)pyridine-2-carboxamide is sourced from PubChem (CID 60659860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).