2,4-dichloro-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-6-methylpyridine-3-carboxamide

C14H9Cl3F3N3O — CID 22027361

IUPAC2,4-dichloro-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-6-methylpyridine-3-carboxamide
SMILESCc1cc(Cl)c(C(=O)NCc2ncc(C(F)(F)F)cc2Cl)c(Cl)n1
InChIInChI=1S/C14H9Cl3F3N3O/c1-6-2-9(16)11(12(17)23-6)13(24)22-5-10-8(15)3-7(4-21-10)14(18,19)20/h2-4H,5H2,1H3,(H,22,24)
InChIKeyGFAJPDCDHMWDMP-UHFFFAOYSA-N
MW398.60 g/mol
LogP4.69
Rot. Bonds3

About 2,4-dichloro-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-6-methylpyridine-3-carboxamide

2,4-dichloro-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-6-methylpyridine-3-carboxamide (PubChem CID 22027361) has the molecular formula C14H9Cl3F3N3O and a molecular weight of 398.60 g/mol. Its IUPAC name is 2,4-dichloro-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name2,4-dichloro-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-6-methylpyridine-3-carboxamide
PubChem CID22027361
Molecular FormulaC14H9Cl3F3N3O
Molecular Weight398.60 g/mol
Exact Mass396.98
IUPAC Name2,4-dichloro-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-6-methylpyridine-3-carboxamide
SMILESCc1cc(Cl)c(C(=O)NCc2ncc(C(F)(F)F)cc2Cl)c(Cl)n1
InChIInChI=1S/C14H9Cl3F3N3O/c1-6-2-9(16)11(12(17)23-6)13(24)22-5-10-8(15)3-7(4-21-10)14(18,19)20/h2-4H,5H2,1H3,(H,22,24)
InChIKeyGFAJPDCDHMWDMP-UHFFFAOYSA-N
XLogP4.69
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.60
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,4-dichloro-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]pyridine-3-carboxamide
CID 22027356
2-(4-chlorophenyl)-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]acetamide
CID 110208650
N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 118264310
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[3-[[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetyl]amino]propyl]acetamide
CID 3759280
N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide
CID 110208900
1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-3-phenylurea
CID 2745366
1-(4-chlorophenyl)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]urea
CID 2745367
2-chloro-N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethyl]acetamide
CID 53405659
N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide
CID 171679288
2-acetamido-N-[3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propyl]-6-methylpyridine-4-carboxamide
CID 142503861
N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]morpholine-4-carboxamide
CID 66989884
N',2-bis[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetohydrazide
CID 5144250

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-6-methylpyridine-3-carboxamide?
The IUPAC name of 2,4-dichloro-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-6-methylpyridine-3-carboxamide (CID 22027361) is 2,4-dichloro-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-6-methylpyridine-3-carboxamide.
What is the SMILES notation for 2,4-dichloro-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-6-methylpyridine-3-carboxamide?
The canonical SMILES for 2,4-dichloro-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-6-methylpyridine-3-carboxamide is Cc1cc(Cl)c(C(=O)NCc2ncc(C(F)(F)F)cc2Cl)c(Cl)n1.
What is the InChIKey of 2,4-dichloro-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-6-methylpyridine-3-carboxamide?
The InChIKey is GFAJPDCDHMWDMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl3F3N3O/c1-6-2-9(16)11(12(17)23-6)13(24)22-5-10-8(15)3-7(4-21-10)14(18,19)20/h2-4H,5H2,1H3,(H,22,24).
What are the key properties of 2,4-dichloro-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-6-methylpyridine-3-carboxamide?
2,4-dichloro-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-6-methylpyridine-3-carboxamide has a molecular weight of 398.60 g/mol, XLogP of 4.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 22027361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).