4-[2-(2,4-dichlorophenyl)ethylamino]-N-propan-2-ylpyridine-2-carboxamide

C17H19Cl2N3O — CID 109201372

IUPAC4-[2-(2,4-dichlorophenyl)ethylamino]-N-propan-2-ylpyridine-2-carboxamide
SMILESCC(C)NC(=O)c1cc(NCCc2ccc(Cl)cc2Cl)ccn1
InChIInChI=1S/C17H19Cl2N3O/c1-11(2)22-17(23)16-10-14(6-8-21-16)20-7-5-12-3-4-13(18)9-15(12)19/h3-4,6,8-11H,5,7H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyIRVQZHVGRUNMRV-UHFFFAOYSA-N
MW352.27 g/mol
LogP4.18
Rot. Bonds6

About 4-[2-(2,4-dichlorophenyl)ethylamino]-N-propan-2-ylpyridine-2-carboxamide

4-[2-(2,4-dichlorophenyl)ethylamino]-N-propan-2-ylpyridine-2-carboxamide (PubChem CID 109201372) has the molecular formula C17H19Cl2N3O and a molecular weight of 352.27 g/mol. Its IUPAC name is 4-[2-(2,4-dichlorophenyl)ethylamino]-N-propan-2-ylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[2-(2,4-dichlorophenyl)ethylamino]-N-propan-2-ylpyridine-2-carboxamide
PubChem CID109201372
Molecular FormulaC17H19Cl2N3O
Molecular Weight352.27 g/mol
Exact Mass351.09
IUPAC Name4-[2-(2,4-dichlorophenyl)ethylamino]-N-propan-2-ylpyridine-2-carboxamide
SMILESCC(C)NC(=O)c1cc(NCCc2ccc(Cl)cc2Cl)ccn1
InChIInChI=1S/C17H19Cl2N3O/c1-11(2)22-17(23)16-10-14(6-8-21-16)20-7-5-12-3-4-13(18)9-15(12)19/h3-4,6,8-11H,5,7H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyIRVQZHVGRUNMRV-UHFFFAOYSA-N
XLogP4.18
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.27
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2,4-dichlorophenyl)ethyl]-4-(2-methoxyethylamino)pyridine-2-carboxamide
CID 109205915
5-[2-(2,4-dichlorophenyl)ethylamino]-N-propan-2-ylpyrazine-2-carboxamide
CID 109271241
[4-[2-(2,4-dichlorophenyl)ethylamino]-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109203694
4-[(3-chloro-2,6-difluorophenyl)methylamino]-N-propan-2-ylpyridine-2-carboxamide
CID 56889894
5-[2-(2,4-dichlorophenyl)ethylamino]-N-(2-methylpropyl)pyridine-2-carboxamide
CID 109181090
N-(2,4-dichlorophenyl)-4-(2-methoxyethylamino)pyridine-2-carboxamide
CID 109206008
N-(4-chlorophenyl)-4-[2-(2-methoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 109214357
5-[2-(2,4-dichlorophenyl)ethylamino]-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 109183900
3-N-[2-(2,4-dichlorophenyl)ethyl]-5-N-propan-2-ylpyridine-3,5-dicarboxamide
CID 109101412
4-[2-(3-chlorophenyl)ethylamino]-N-(2-methylpropyl)pyridine-2-carboxamide
CID 109202931
N-(3-chloro-4-fluorophenyl)-4-[2-(2-fluorophenyl)ethylamino]pyridine-2-carboxamide
CID 109214063
N-(5-chloro-2-methoxyphenyl)-4-[2-(2-fluorophenyl)ethylamino]pyridine-2-carboxamide
CID 109214065

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,4-dichlorophenyl)ethylamino]-N-propan-2-ylpyridine-2-carboxamide?
The IUPAC name of 4-[2-(2,4-dichlorophenyl)ethylamino]-N-propan-2-ylpyridine-2-carboxamide (CID 109201372) is 4-[2-(2,4-dichlorophenyl)ethylamino]-N-propan-2-ylpyridine-2-carboxamide.
What is the SMILES notation for 4-[2-(2,4-dichlorophenyl)ethylamino]-N-propan-2-ylpyridine-2-carboxamide?
The canonical SMILES for 4-[2-(2,4-dichlorophenyl)ethylamino]-N-propan-2-ylpyridine-2-carboxamide is CC(C)NC(=O)c1cc(NCCc2ccc(Cl)cc2Cl)ccn1.
What is the InChIKey of 4-[2-(2,4-dichlorophenyl)ethylamino]-N-propan-2-ylpyridine-2-carboxamide?
The InChIKey is IRVQZHVGRUNMRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2N3O/c1-11(2)22-17(23)16-10-14(6-8-21-16)20-7-5-12-3-4-13(18)9-15(12)19/h3-4,6,8-11H,5,7H2,1-2H3,(H,20,21)(H,22,23).
What are the key properties of 4-[2-(2,4-dichlorophenyl)ethylamino]-N-propan-2-ylpyridine-2-carboxamide?
4-[2-(2,4-dichlorophenyl)ethylamino]-N-propan-2-ylpyridine-2-carboxamide has a molecular weight of 352.27 g/mol, XLogP of 4.18, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,4-dichlorophenyl)ethylamino]-N-propan-2-ylpyridine-2-carboxamide is sourced from PubChem (CID 109201372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).