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

C17H24ClN3O3 — CID 71093612

IUPAC5-chloro-6-(cyclopropylmethoxy)-N-[3-(methylcarbamoyl)pentan-3-yl]pyridine-2-carboxamide
SMILESCCC(CC)(NC(=O)c1ccc(Cl)c(OCC2CC2)n1)C(=O)NC
InChIInChI=1S/C17H24ClN3O3/c1-4-17(5-2,16(23)19-3)21-14(22)13-9-8-12(18)15(20-13)24-10-11-6-7-11/h8-9,11H,4-7,10H2,1-3H3,(H,19,23)(H,21,22)
InChIKeyZQAYPFCIJSYLBD-UHFFFAOYSA-N
MW353.85 g/mol
LogP2.56
Rot. Bonds8

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

5-chloro-6-(cyclopropylmethoxy)-N-[3-(methylcarbamoyl)pentan-3-yl]pyridine-2-carboxamide (PubChem CID 71093612) has the molecular formula C17H24ClN3O3 and a molecular weight of 353.85 g/mol. Its IUPAC name is 5-chloro-6-(cyclopropylmethoxy)-N-[3-(methylcarbamoyl)pentan-3-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-6-(cyclopropylmethoxy)-N-[3-(methylcarbamoyl)pentan-3-yl]pyridine-2-carboxamide
PubChem CID71093612
Molecular FormulaC17H24ClN3O3
Molecular Weight353.85 g/mol
Exact Mass353.15
IUPAC Name5-chloro-6-(cyclopropylmethoxy)-N-[3-(methylcarbamoyl)pentan-3-yl]pyridine-2-carboxamide
SMILESCCC(CC)(NC(=O)c1ccc(Cl)c(OCC2CC2)n1)C(=O)NC
InChIInChI=1S/C17H24ClN3O3/c1-4-17(5-2,16(23)19-3)21-14(22)13-9-8-12(18)15(20-13)24-10-11-6-7-11/h8-9,11H,4-7,10H2,1-3H3,(H,19,23)(H,21,22)
InChIKeyZQAYPFCIJSYLBD-UHFFFAOYSA-N
XLogP2.56
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.85
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(cyclopropylmethoxy)-N-[3-(methylcarbamoyl)pentan-3-yl]pyridine-2-carboxamide?
The IUPAC name of 5-chloro-6-(cyclopropylmethoxy)-N-[3-(methylcarbamoyl)pentan-3-yl]pyridine-2-carboxamide (CID 71093612) is 5-chloro-6-(cyclopropylmethoxy)-N-[3-(methylcarbamoyl)pentan-3-yl]pyridine-2-carboxamide.
What is the SMILES notation for 5-chloro-6-(cyclopropylmethoxy)-N-[3-(methylcarbamoyl)pentan-3-yl]pyridine-2-carboxamide?
The canonical SMILES for 5-chloro-6-(cyclopropylmethoxy)-N-[3-(methylcarbamoyl)pentan-3-yl]pyridine-2-carboxamide is CCC(CC)(NC(=O)c1ccc(Cl)c(OCC2CC2)n1)C(=O)NC.
What is the InChIKey of 5-chloro-6-(cyclopropylmethoxy)-N-[3-(methylcarbamoyl)pentan-3-yl]pyridine-2-carboxamide?
The InChIKey is ZQAYPFCIJSYLBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O3/c1-4-17(5-2,16(23)19-3)21-14(22)13-9-8-12(18)15(20-13)24-10-11-6-7-11/h8-9,11H,4-7,10H2,1-3H3,(H,19,23)(H,21,22).
What are the key properties of 5-chloro-6-(cyclopropylmethoxy)-N-[3-(methylcarbamoyl)pentan-3-yl]pyridine-2-carboxamide?
5-chloro-6-(cyclopropylmethoxy)-N-[3-(methylcarbamoyl)pentan-3-yl]pyridine-2-carboxamide has a molecular weight of 353.85 g/mol, XLogP of 2.56, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(cyclopropylmethoxy)-N-[3-(methylcarbamoyl)pentan-3-yl]pyridine-2-carboxamide is sourced from PubChem (CID 71093612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).