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

C19H21Cl2N3O2 — CID 71113197

IUPAC5-chloro-6-(3-chlorophenyl)-N-[3-(methylcarbamoyl)pentan-3-yl]pyridine-2-carboxamide
SMILESCCC(CC)(NC(=O)c1ccc(Cl)c(-c2cccc(Cl)c2)n1)C(=O)NC
InChIInChI=1S/C19H21Cl2N3O2/c1-4-19(5-2,18(26)22-3)24-17(25)15-10-9-14(21)16(23-15)12-7-6-8-13(20)11-12/h6-11H,4-5H2,1-3H3,(H,22,26)(H,24,25)
InChIKeyQSFPKINZVDAVRI-UHFFFAOYSA-N
MW394.30 g/mol
LogP4.09
Rot. Bonds6

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

5-chloro-6-(3-chlorophenyl)-N-[3-(methylcarbamoyl)pentan-3-yl]pyridine-2-carboxamide (PubChem CID 71113197) has the molecular formula C19H21Cl2N3O2 and a molecular weight of 394.30 g/mol. Its IUPAC name is 5-chloro-6-(3-chlorophenyl)-N-[3-(methylcarbamoyl)pentan-3-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-6-(3-chlorophenyl)-N-[3-(methylcarbamoyl)pentan-3-yl]pyridine-2-carboxamide
PubChem CID71113197
Molecular FormulaC19H21Cl2N3O2
Molecular Weight394.30 g/mol
Exact Mass393.10
IUPAC Name5-chloro-6-(3-chlorophenyl)-N-[3-(methylcarbamoyl)pentan-3-yl]pyridine-2-carboxamide
SMILESCCC(CC)(NC(=O)c1ccc(Cl)c(-c2cccc(Cl)c2)n1)C(=O)NC
InChIInChI=1S/C19H21Cl2N3O2/c1-4-19(5-2,18(26)22-3)24-17(25)15-10-9-14(21)16(23-15)12-7-6-8-13(20)11-12/h6-11H,4-5H2,1-3H3,(H,22,26)(H,24,25)
InChIKeyQSFPKINZVDAVRI-UHFFFAOYSA-N
XLogP4.09
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.30
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(3-chlorophenyl)-N-[3-(methylcarbamoyl)pentan-3-yl]pyridine-2-carboxamide?
The IUPAC name of 5-chloro-6-(3-chlorophenyl)-N-[3-(methylcarbamoyl)pentan-3-yl]pyridine-2-carboxamide (CID 71113197) is 5-chloro-6-(3-chlorophenyl)-N-[3-(methylcarbamoyl)pentan-3-yl]pyridine-2-carboxamide.
What is the SMILES notation for 5-chloro-6-(3-chlorophenyl)-N-[3-(methylcarbamoyl)pentan-3-yl]pyridine-2-carboxamide?
The canonical SMILES for 5-chloro-6-(3-chlorophenyl)-N-[3-(methylcarbamoyl)pentan-3-yl]pyridine-2-carboxamide is CCC(CC)(NC(=O)c1ccc(Cl)c(-c2cccc(Cl)c2)n1)C(=O)NC.
What is the InChIKey of 5-chloro-6-(3-chlorophenyl)-N-[3-(methylcarbamoyl)pentan-3-yl]pyridine-2-carboxamide?
The InChIKey is QSFPKINZVDAVRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2N3O2/c1-4-19(5-2,18(26)22-3)24-17(25)15-10-9-14(21)16(23-15)12-7-6-8-13(20)11-12/h6-11H,4-5H2,1-3H3,(H,22,26)(H,24,25).
What are the key properties of 5-chloro-6-(3-chlorophenyl)-N-[3-(methylcarbamoyl)pentan-3-yl]pyridine-2-carboxamide?
5-chloro-6-(3-chlorophenyl)-N-[3-(methylcarbamoyl)pentan-3-yl]pyridine-2-carboxamide has a molecular weight of 394.30 g/mol, XLogP of 4.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(3-chlorophenyl)-N-[3-(methylcarbamoyl)pentan-3-yl]pyridine-2-carboxamide is sourced from PubChem (CID 71113197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).