6-(3-chlorophenyl)-5-methoxy-N-[3-(methylcarbamoyl)pentan-3-yl]pyridine-2-carboxamide

C20H24ClN3O3 — CID 71093501

IUPAC6-(3-chlorophenyl)-5-methoxy-N-[3-(methylcarbamoyl)pentan-3-yl]pyridine-2-carboxamide
SMILESCCC(CC)(NC(=O)c1ccc(OC)c(-c2cccc(Cl)c2)n1)C(=O)NC
InChIInChI=1S/C20H24ClN3O3/c1-5-20(6-2,19(26)22-3)24-18(25)15-10-11-16(27-4)17(23-15)13-8-7-9-14(21)12-13/h7-12H,5-6H2,1-4H3,(H,22,26)(H,24,25)
InChIKeyZBZZGDPXELZQMT-UHFFFAOYSA-N
MW389.88 g/mol
LogP3.45
Rot. Bonds7

About 6-(3-chlorophenyl)-5-methoxy-N-[3-(methylcarbamoyl)pentan-3-yl]pyridine-2-carboxamide

6-(3-chlorophenyl)-5-methoxy-N-[3-(methylcarbamoyl)pentan-3-yl]pyridine-2-carboxamide (PubChem CID 71093501) has the molecular formula C20H24ClN3O3 and a molecular weight of 389.88 g/mol. Its IUPAC name is 6-(3-chlorophenyl)-5-methoxy-N-[3-(methylcarbamoyl)pentan-3-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(3-chlorophenyl)-5-methoxy-N-[3-(methylcarbamoyl)pentan-3-yl]pyridine-2-carboxamide
PubChem CID71093501
Molecular FormulaC20H24ClN3O3
Molecular Weight389.88 g/mol
Exact Mass389.15
IUPAC Name6-(3-chlorophenyl)-5-methoxy-N-[3-(methylcarbamoyl)pentan-3-yl]pyridine-2-carboxamide
SMILESCCC(CC)(NC(=O)c1ccc(OC)c(-c2cccc(Cl)c2)n1)C(=O)NC
InChIInChI=1S/C20H24ClN3O3/c1-5-20(6-2,19(26)22-3)24-18(25)15-10-11-16(27-4)17(23-15)13-8-7-9-14(21)12-13/h7-12H,5-6H2,1-4H3,(H,22,26)(H,24,25)
InChIKeyZBZZGDPXELZQMT-UHFFFAOYSA-N
XLogP3.45
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.88
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3-chlorophenyl)-5-methoxy-N-[3-(methylcarbamoyl)pentan-3-yl]pyridine-2-carboxamide?
The IUPAC name of 6-(3-chlorophenyl)-5-methoxy-N-[3-(methylcarbamoyl)pentan-3-yl]pyridine-2-carboxamide (CID 71093501) is 6-(3-chlorophenyl)-5-methoxy-N-[3-(methylcarbamoyl)pentan-3-yl]pyridine-2-carboxamide.
What is the SMILES notation for 6-(3-chlorophenyl)-5-methoxy-N-[3-(methylcarbamoyl)pentan-3-yl]pyridine-2-carboxamide?
The canonical SMILES for 6-(3-chlorophenyl)-5-methoxy-N-[3-(methylcarbamoyl)pentan-3-yl]pyridine-2-carboxamide is CCC(CC)(NC(=O)c1ccc(OC)c(-c2cccc(Cl)c2)n1)C(=O)NC.
What is the InChIKey of 6-(3-chlorophenyl)-5-methoxy-N-[3-(methylcarbamoyl)pentan-3-yl]pyridine-2-carboxamide?
The InChIKey is ZBZZGDPXELZQMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O3/c1-5-20(6-2,19(26)22-3)24-18(25)15-10-11-16(27-4)17(23-15)13-8-7-9-14(21)12-13/h7-12H,5-6H2,1-4H3,(H,22,26)(H,24,25).
What are the key properties of 6-(3-chlorophenyl)-5-methoxy-N-[3-(methylcarbamoyl)pentan-3-yl]pyridine-2-carboxamide?
6-(3-chlorophenyl)-5-methoxy-N-[3-(methylcarbamoyl)pentan-3-yl]pyridine-2-carboxamide has a molecular weight of 389.88 g/mol, XLogP of 3.45, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chlorophenyl)-5-methoxy-N-[3-(methylcarbamoyl)pentan-3-yl]pyridine-2-carboxamide is sourced from PubChem (CID 71093501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).