3-N-[2-(2,4-dichlorophenyl)ethyl]-5-N-propan-2-ylpyridine-3,5-dicarboxamide

C18H19Cl2N3O2 — CID 109101412

IUPAC3-N-[2-(2,4-dichlorophenyl)ethyl]-5-N-propan-2-ylpyridine-3,5-dicarboxamide
SMILESCC(C)NC(=O)c1cncc(C(=O)NCCc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C18H19Cl2N3O2/c1-11(2)23-18(25)14-7-13(9-21-10-14)17(24)22-6-5-12-3-4-15(19)8-16(12)20/h3-4,7-11H,5-6H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyBFNBZQRZGGUYJV-UHFFFAOYSA-N
MW380.28 g/mol
LogP3.50
Rot. Bonds6

About 3-N-[2-(2,4-dichlorophenyl)ethyl]-5-N-propan-2-ylpyridine-3,5-dicarboxamide

3-N-[2-(2,4-dichlorophenyl)ethyl]-5-N-propan-2-ylpyridine-3,5-dicarboxamide (PubChem CID 109101412) has the molecular formula C18H19Cl2N3O2 and a molecular weight of 380.28 g/mol. Its IUPAC name is 3-N-[2-(2,4-dichlorophenyl)ethyl]-5-N-propan-2-ylpyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name3-N-[2-(2,4-dichlorophenyl)ethyl]-5-N-propan-2-ylpyridine-3,5-dicarboxamide
PubChem CID109101412
Molecular FormulaC18H19Cl2N3O2
Molecular Weight380.28 g/mol
Exact Mass379.09
IUPAC Name3-N-[2-(2,4-dichlorophenyl)ethyl]-5-N-propan-2-ylpyridine-3,5-dicarboxamide
SMILESCC(C)NC(=O)c1cncc(C(=O)NCCc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C18H19Cl2N3O2/c1-11(2)23-18(25)14-7-13(9-21-10-14)17(24)22-6-5-12-3-4-15(19)8-16(12)20/h3-4,7-11H,5-6H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyBFNBZQRZGGUYJV-UHFFFAOYSA-N
XLogP3.50
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.28
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(tert-butylamino)-N-[2-(2,4-dichlorophenyl)ethyl]pyridine-3-carboxamide
CID 109239385
N-[2-(2,4-dichlorophenyl)ethyl]pyridine-3-carboxamide
CID 17472910
3-N-(2-phenylethyl)-5-N-propan-2-ylpyridine-3,5-dicarboxamide
CID 109101366
N-[2-(2,4-dichlorophenyl)ethyl]-5,6-dimethylpyridine-3-carboxamide
CID 73388060
N-[2-(2,4-dichlorophenyl)ethyl]-3-hydroxy-4-methylbenzamide
CID 29051396
N-[2-(2,4-dichlorophenyl)ethyl]-1-methylpyrazole-4-carboxamide
CID 9269519
N-[2-(2,4-dichlorophenyl)ethyl]-6-(propan-2-ylamino)pyridazine-3-carboxamide
CID 109109484
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
5-(5-chloro-2-methylanilino)-N-propan-2-ylpyridine-3-carboxamide
CID 109223277
N-[2-(4-chlorophenyl)ethyl]-5-(propan-2-ylamino)pyridine-3-carboxamide
CID 109223411
2-[2-(2,4-dichlorophenyl)ethylcarbamoylamino]propanoic acid
CID 61183611

Frequently Asked Questions

What is the IUPAC name of 3-N-[2-(2,4-dichlorophenyl)ethyl]-5-N-propan-2-ylpyridine-3,5-dicarboxamide?
The IUPAC name of 3-N-[2-(2,4-dichlorophenyl)ethyl]-5-N-propan-2-ylpyridine-3,5-dicarboxamide (CID 109101412) is 3-N-[2-(2,4-dichlorophenyl)ethyl]-5-N-propan-2-ylpyridine-3,5-dicarboxamide.
What is the SMILES notation for 3-N-[2-(2,4-dichlorophenyl)ethyl]-5-N-propan-2-ylpyridine-3,5-dicarboxamide?
The canonical SMILES for 3-N-[2-(2,4-dichlorophenyl)ethyl]-5-N-propan-2-ylpyridine-3,5-dicarboxamide is CC(C)NC(=O)c1cncc(C(=O)NCCc2ccc(Cl)cc2Cl)c1.
What is the InChIKey of 3-N-[2-(2,4-dichlorophenyl)ethyl]-5-N-propan-2-ylpyridine-3,5-dicarboxamide?
The InChIKey is BFNBZQRZGGUYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2N3O2/c1-11(2)23-18(25)14-7-13(9-21-10-14)17(24)22-6-5-12-3-4-15(19)8-16(12)20/h3-4,7-11H,5-6H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of 3-N-[2-(2,4-dichlorophenyl)ethyl]-5-N-propan-2-ylpyridine-3,5-dicarboxamide?
3-N-[2-(2,4-dichlorophenyl)ethyl]-5-N-propan-2-ylpyridine-3,5-dicarboxamide has a molecular weight of 380.28 g/mol, XLogP of 3.50, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[2-(2,4-dichlorophenyl)ethyl]-5-N-propan-2-ylpyridine-3,5-dicarboxamide is sourced from PubChem (CID 109101412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).