5-[2-(2,4-dichlorophenyl)ethylamino]-N-(2-methylpropyl)pyridine-2-carboxamide

C18H21Cl2N3O — CID 109181090

IUPAC5-[2-(2,4-dichlorophenyl)ethylamino]-N-(2-methylpropyl)pyridine-2-carboxamide
SMILESCC(C)CNC(=O)c1ccc(NCCc2ccc(Cl)cc2Cl)cn1
InChIInChI=1S/C18H21Cl2N3O/c1-12(2)10-23-18(24)17-6-5-15(11-22-17)21-8-7-13-3-4-14(19)9-16(13)20/h3-6,9,11-12,21H,7-8,10H2,1-2H3,(H,23,24)
InChIKeyMZERVZQXFQVJKX-UHFFFAOYSA-N
MW366.29 g/mol
LogP4.43
Rot. Bonds7

About 5-[2-(2,4-dichlorophenyl)ethylamino]-N-(2-methylpropyl)pyridine-2-carboxamide

5-[2-(2,4-dichlorophenyl)ethylamino]-N-(2-methylpropyl)pyridine-2-carboxamide (PubChem CID 109181090) has the molecular formula C18H21Cl2N3O and a molecular weight of 366.29 g/mol. Its IUPAC name is 5-[2-(2,4-dichlorophenyl)ethylamino]-N-(2-methylpropyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[2-(2,4-dichlorophenyl)ethylamino]-N-(2-methylpropyl)pyridine-2-carboxamide
PubChem CID109181090
Molecular FormulaC18H21Cl2N3O
Molecular Weight366.29 g/mol
Exact Mass365.11
IUPAC Name5-[2-(2,4-dichlorophenyl)ethylamino]-N-(2-methylpropyl)pyridine-2-carboxamide
SMILESCC(C)CNC(=O)c1ccc(NCCc2ccc(Cl)cc2Cl)cn1
InChIInChI=1S/C18H21Cl2N3O/c1-12(2)10-23-18(24)17-6-5-15(11-22-17)21-8-7-13-3-4-14(19)9-16(13)20/h3-6,9,11-12,21H,7-8,10H2,1-2H3,(H,23,24)
InChIKeyMZERVZQXFQVJKX-UHFFFAOYSA-N
XLogP4.43
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.29
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[2-(2,4-dichlorophenyl)ethylamino]-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 109183900
5-[2-(2,4-dichlorophenyl)ethylamino]-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide
CID 109185349
5-[2-(4-fluorophenyl)ethylamino]-N-(2-methylpropyl)pyridine-2-carboxamide
CID 109181046
4-[2-(2,4-dichlorophenyl)ethylamino]-N-propan-2-ylpyridine-2-carboxamide
CID 109201372
5-(3-chloroanilino)-N-(2-methylpropyl)pyridine-2-carboxamide
CID 109181120
N-[2-(2,4-dichlorophenyl)ethyl]-6-(2-methylpropylamino)pyridine-3-carboxamide
CID 109151833
5-[2-(2,4-dichlorophenyl)ethylamino]-N-propan-2-ylpyrazine-2-carboxamide
CID 109271241
N-[2-(2,4-dichlorophenyl)ethyl]-4-(2-methoxyethylamino)pyridine-2-carboxamide
CID 109205915
4-[2-(3-chlorophenyl)ethylamino]-N-(2-methylpropyl)pyridine-2-carboxamide
CID 109202931
N-(4-chloro-2-methylphenyl)-5-(2-methylpropylamino)pyridine-2-carboxamide
CID 109181316
N-[5-[2-(2,4-dichlorophenyl)ethylamino]-2-pyridinyl]cyclopropanecarboxamide
CID 113031057
N-[2-(2,4-dichlorophenyl)ethyl]-6-(propan-2-ylamino)pyridazine-3-carboxamide
CID 109109484

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2,4-dichlorophenyl)ethylamino]-N-(2-methylpropyl)pyridine-2-carboxamide?
The IUPAC name of 5-[2-(2,4-dichlorophenyl)ethylamino]-N-(2-methylpropyl)pyridine-2-carboxamide (CID 109181090) is 5-[2-(2,4-dichlorophenyl)ethylamino]-N-(2-methylpropyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-[2-(2,4-dichlorophenyl)ethylamino]-N-(2-methylpropyl)pyridine-2-carboxamide?
The canonical SMILES for 5-[2-(2,4-dichlorophenyl)ethylamino]-N-(2-methylpropyl)pyridine-2-carboxamide is CC(C)CNC(=O)c1ccc(NCCc2ccc(Cl)cc2Cl)cn1.
What is the InChIKey of 5-[2-(2,4-dichlorophenyl)ethylamino]-N-(2-methylpropyl)pyridine-2-carboxamide?
The InChIKey is MZERVZQXFQVJKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21Cl2N3O/c1-12(2)10-23-18(24)17-6-5-15(11-22-17)21-8-7-13-3-4-14(19)9-16(13)20/h3-6,9,11-12,21H,7-8,10H2,1-2H3,(H,23,24).
What are the key properties of 5-[2-(2,4-dichlorophenyl)ethylamino]-N-(2-methylpropyl)pyridine-2-carboxamide?
5-[2-(2,4-dichlorophenyl)ethylamino]-N-(2-methylpropyl)pyridine-2-carboxamide has a molecular weight of 366.29 g/mol, XLogP of 4.43, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2,4-dichlorophenyl)ethylamino]-N-(2-methylpropyl)pyridine-2-carboxamide is sourced from PubChem (CID 109181090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).