2-chloro-N-[2-[2-[[3-chloro-5-(trifluoromethyl)pyridine-2-carbonyl]amino]ethylamino]ethyl]-6-methylpyridine-3-carboxamide

C18H18Cl2F3N5O2 — CID 10139692

IUPAC2-chloro-N-[2-[2-[[3-chloro-5-(trifluoromethyl)pyridine-2-carbonyl]amino]ethylamino]ethyl]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCCNCCNC(=O)c2ncc(C(F)(F)F)cc2Cl)c(Cl)n1
InChIInChI=1S/C18H18Cl2F3N5O2/c1-10-2-3-12(15(20)28-10)16(29)25-6-4-24-5-7-26-17(30)14-13(19)8-11(9-27-14)18(21,22)23/h2-3,8-9,24H,4-7H2,1H3,(H,25,29)(H,26,30)
InChIKeyHUHAAYRZLUDFCK-UHFFFAOYSA-N
MW464.28 g/mol
LogP2.86
Rot. Bonds8

About 2-chloro-N-[2-[2-[[3-chloro-5-(trifluoromethyl)pyridine-2-carbonyl]amino]ethylamino]ethyl]-6-methylpyridine-3-carboxamide

2-chloro-N-[2-[2-[[3-chloro-5-(trifluoromethyl)pyridine-2-carbonyl]amino]ethylamino]ethyl]-6-methylpyridine-3-carboxamide (PubChem CID 10139692) has the molecular formula C18H18Cl2F3N5O2 and a molecular weight of 464.28 g/mol. Its IUPAC name is 2-chloro-N-[2-[2-[[3-chloro-5-(trifluoromethyl)pyridine-2-carbonyl]amino]ethylamino]ethyl]-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[2-[2-[[3-chloro-5-(trifluoromethyl)pyridine-2-carbonyl]amino]ethylamino]ethyl]-6-methylpyridine-3-carboxamide
PubChem CID10139692
Molecular FormulaC18H18Cl2F3N5O2
Molecular Weight464.28 g/mol
Exact Mass463.08
IUPAC Name2-chloro-N-[2-[2-[[3-chloro-5-(trifluoromethyl)pyridine-2-carbonyl]amino]ethylamino]ethyl]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCCNCCNC(=O)c2ncc(C(F)(F)F)cc2Cl)c(Cl)n1
InChIInChI=1S/C18H18Cl2F3N5O2/c1-10-2-3-12(15(20)28-10)16(29)25-6-4-24-5-7-26-17(30)14-13(19)8-11(9-27-14)18(21,22)23/h2-3,8-9,24H,4-7H2,1H3,(H,25,29)(H,26,30)
InChIKeyHUHAAYRZLUDFCK-UHFFFAOYSA-N
XLogP2.86
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.28
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-[2-(1,2-oxazol-3-yl)ethyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 138026736
N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-2-(trifluoromethyl)benzamide
CID 27888731
N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-2-iodobenzamide
CID 26373720
2,4-dichloro-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-6-methylpyridine-3-carboxamide
CID 22027361
N-[(6-amino-3-pyridinyl)methyl]-3-chloro-5-(trifluoromethyl)pyridine-2-carboxamide
CID 166319423
3-chloro-N-[(2-methyltriazol-4-yl)methyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 138023481
N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-2-iodobenzamide
CID 74767005
2-chloro-6-methylpyridine-3-carbohydrazide
CID 14056219
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,2,2-trifluoroethanone
CID 137346954
N-[[2-(butylcarbamoyl)-4,6-dichlorophenyl]carbamothioyl]-3-chloro-5-(trifluoromethyl)pyridine-2-carboxamide
CID 175235017
N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-2-methyl-6-(propanoylamino)pyridine-4-carboxamide
CID 142503751
N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 32643056

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[2-[[3-chloro-5-(trifluoromethyl)pyridine-2-carbonyl]amino]ethylamino]ethyl]-6-methylpyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-[2-[2-[[3-chloro-5-(trifluoromethyl)pyridine-2-carbonyl]amino]ethylamino]ethyl]-6-methylpyridine-3-carboxamide (CID 10139692) is 2-chloro-N-[2-[2-[[3-chloro-5-(trifluoromethyl)pyridine-2-carbonyl]amino]ethylamino]ethyl]-6-methylpyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-[2-[2-[[3-chloro-5-(trifluoromethyl)pyridine-2-carbonyl]amino]ethylamino]ethyl]-6-methylpyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-[2-[2-[[3-chloro-5-(trifluoromethyl)pyridine-2-carbonyl]amino]ethylamino]ethyl]-6-methylpyridine-3-carboxamide is Cc1ccc(C(=O)NCCNCCNC(=O)c2ncc(C(F)(F)F)cc2Cl)c(Cl)n1.
What is the InChIKey of 2-chloro-N-[2-[2-[[3-chloro-5-(trifluoromethyl)pyridine-2-carbonyl]amino]ethylamino]ethyl]-6-methylpyridine-3-carboxamide?
The InChIKey is HUHAAYRZLUDFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2F3N5O2/c1-10-2-3-12(15(20)28-10)16(29)25-6-4-24-5-7-26-17(30)14-13(19)8-11(9-27-14)18(21,22)23/h2-3,8-9,24H,4-7H2,1H3,(H,25,29)(H,26,30).
What are the key properties of 2-chloro-N-[2-[2-[[3-chloro-5-(trifluoromethyl)pyridine-2-carbonyl]amino]ethylamino]ethyl]-6-methylpyridine-3-carboxamide?
2-chloro-N-[2-[2-[[3-chloro-5-(trifluoromethyl)pyridine-2-carbonyl]amino]ethylamino]ethyl]-6-methylpyridine-3-carboxamide has a molecular weight of 464.28 g/mol, XLogP of 2.86, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-[2-[[3-chloro-5-(trifluoromethyl)pyridine-2-carbonyl]amino]ethylamino]ethyl]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 10139692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).