6-(3-chlorophenyl)-N-[3-(dimethylcarbamoyl)pentan-3-yl]pyridine-2-carboxamide

C20H24ClN3O2 — CID 71105543

IUPAC6-(3-chlorophenyl)-N-[3-(dimethylcarbamoyl)pentan-3-yl]pyridine-2-carboxamide
SMILESCCC(CC)(NC(=O)c1cccc(-c2cccc(Cl)c2)n1)C(=O)N(C)C
InChIInChI=1S/C20H24ClN3O2/c1-5-20(6-2,19(26)24(3)4)23-18(25)17-12-8-11-16(22-17)14-9-7-10-15(21)13-14/h7-13H,5-6H2,1-4H3,(H,23,25)
InChIKeySOYPYEJSHCHOCO-UHFFFAOYSA-N
MW373.88 g/mol
LogP3.78
Rot. Bonds6

About 6-(3-chlorophenyl)-N-[3-(dimethylcarbamoyl)pentan-3-yl]pyridine-2-carboxamide

6-(3-chlorophenyl)-N-[3-(dimethylcarbamoyl)pentan-3-yl]pyridine-2-carboxamide (PubChem CID 71105543) has the molecular formula C20H24ClN3O2 and a molecular weight of 373.88 g/mol. Its IUPAC name is 6-(3-chlorophenyl)-N-[3-(dimethylcarbamoyl)pentan-3-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(3-chlorophenyl)-N-[3-(dimethylcarbamoyl)pentan-3-yl]pyridine-2-carboxamide
PubChem CID71105543
Molecular FormulaC20H24ClN3O2
Molecular Weight373.88 g/mol
Exact Mass373.16
IUPAC Name6-(3-chlorophenyl)-N-[3-(dimethylcarbamoyl)pentan-3-yl]pyridine-2-carboxamide
SMILESCCC(CC)(NC(=O)c1cccc(-c2cccc(Cl)c2)n1)C(=O)N(C)C
InChIInChI=1S/C20H24ClN3O2/c1-5-20(6-2,19(26)24(3)4)23-18(25)17-12-8-11-16(22-17)14-9-7-10-15(21)13-14/h7-13H,5-6H2,1-4H3,(H,23,25)
InChIKeySOYPYEJSHCHOCO-UHFFFAOYSA-N
XLogP3.78
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.88
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(3-chlorophenyl)-N-[3-(dimethylcarbamoyl)pentan-3-yl]pyridine-2-carboxamide?
The IUPAC name of 6-(3-chlorophenyl)-N-[3-(dimethylcarbamoyl)pentan-3-yl]pyridine-2-carboxamide (CID 71105543) is 6-(3-chlorophenyl)-N-[3-(dimethylcarbamoyl)pentan-3-yl]pyridine-2-carboxamide.
What is the SMILES notation for 6-(3-chlorophenyl)-N-[3-(dimethylcarbamoyl)pentan-3-yl]pyridine-2-carboxamide?
The canonical SMILES for 6-(3-chlorophenyl)-N-[3-(dimethylcarbamoyl)pentan-3-yl]pyridine-2-carboxamide is CCC(CC)(NC(=O)c1cccc(-c2cccc(Cl)c2)n1)C(=O)N(C)C.
What is the InChIKey of 6-(3-chlorophenyl)-N-[3-(dimethylcarbamoyl)pentan-3-yl]pyridine-2-carboxamide?
The InChIKey is SOYPYEJSHCHOCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O2/c1-5-20(6-2,19(26)24(3)4)23-18(25)17-12-8-11-16(22-17)14-9-7-10-15(21)13-14/h7-13H,5-6H2,1-4H3,(H,23,25).
What are the key properties of 6-(3-chlorophenyl)-N-[3-(dimethylcarbamoyl)pentan-3-yl]pyridine-2-carboxamide?
6-(3-chlorophenyl)-N-[3-(dimethylcarbamoyl)pentan-3-yl]pyridine-2-carboxamide has a molecular weight of 373.88 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chlorophenyl)-N-[3-(dimethylcarbamoyl)pentan-3-yl]pyridine-2-carboxamide is sourced from PubChem (CID 71105543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).