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

C18H21ClN2O2 — CID 71093643

IUPAC6-(3-chlorophenyl)-N-[3-(hydroxymethyl)pentan-3-yl]pyridine-2-carboxamide
SMILESCCC(CC)(CO)NC(=O)c1cccc(-c2cccc(Cl)c2)n1
InChIInChI=1S/C18H21ClN2O2/c1-3-18(4-2,12-22)21-17(23)16-10-6-9-15(20-16)13-7-5-8-14(19)11-13/h5-11,22H,3-4,12H2,1-2H3,(H,21,23)
InChIKeyBASCNUVYXSKMDC-UHFFFAOYSA-N
MW332.83 g/mol
LogP3.68
Rot. Bonds6

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

6-(3-chlorophenyl)-N-[3-(hydroxymethyl)pentan-3-yl]pyridine-2-carboxamide (PubChem CID 71093643) has the molecular formula C18H21ClN2O2 and a molecular weight of 332.83 g/mol. Its IUPAC name is 6-(3-chlorophenyl)-N-[3-(hydroxymethyl)pentan-3-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(3-chlorophenyl)-N-[3-(hydroxymethyl)pentan-3-yl]pyridine-2-carboxamide
PubChem CID71093643
Molecular FormulaC18H21ClN2O2
Molecular Weight332.83 g/mol
Exact Mass332.13
IUPAC Name6-(3-chlorophenyl)-N-[3-(hydroxymethyl)pentan-3-yl]pyridine-2-carboxamide
SMILESCCC(CC)(CO)NC(=O)c1cccc(-c2cccc(Cl)c2)n1
InChIInChI=1S/C18H21ClN2O2/c1-3-18(4-2,12-22)21-17(23)16-10-6-9-15(20-16)13-7-5-8-14(19)11-13/h5-11,22H,3-4,12H2,1-2H3,(H,21,23)
InChIKeyBASCNUVYXSKMDC-UHFFFAOYSA-N
XLogP3.68
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(3-chlorophenyl)-N-[3-(hydroxymethyl)pentan-3-yl]pyridine-2-carboxamide?
The IUPAC name of 6-(3-chlorophenyl)-N-[3-(hydroxymethyl)pentan-3-yl]pyridine-2-carboxamide (CID 71093643) is 6-(3-chlorophenyl)-N-[3-(hydroxymethyl)pentan-3-yl]pyridine-2-carboxamide.
What is the SMILES notation for 6-(3-chlorophenyl)-N-[3-(hydroxymethyl)pentan-3-yl]pyridine-2-carboxamide?
The canonical SMILES for 6-(3-chlorophenyl)-N-[3-(hydroxymethyl)pentan-3-yl]pyridine-2-carboxamide is CCC(CC)(CO)NC(=O)c1cccc(-c2cccc(Cl)c2)n1.
What is the InChIKey of 6-(3-chlorophenyl)-N-[3-(hydroxymethyl)pentan-3-yl]pyridine-2-carboxamide?
The InChIKey is BASCNUVYXSKMDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O2/c1-3-18(4-2,12-22)21-17(23)16-10-6-9-15(20-16)13-7-5-8-14(19)11-13/h5-11,22H,3-4,12H2,1-2H3,(H,21,23).
What are the key properties of 6-(3-chlorophenyl)-N-[3-(hydroxymethyl)pentan-3-yl]pyridine-2-carboxamide?
6-(3-chlorophenyl)-N-[3-(hydroxymethyl)pentan-3-yl]pyridine-2-carboxamide has a molecular weight of 332.83 g/mol, XLogP of 3.68, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chlorophenyl)-N-[3-(hydroxymethyl)pentan-3-yl]pyridine-2-carboxamide is sourced from PubChem (CID 71093643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).