5-ethoxy-N-(4-piperidin-3-ylphenyl)pyridine-2-carboxamide

C19H23N3O2 — CID 53252039

IUPAC5-ethoxy-N-(4-piperidin-3-ylphenyl)pyridine-2-carboxamide
SMILESCCOc1ccc(C(=O)Nc2ccc(C3CCCNC3)cc2)nc1
InChIInChI=1S/C19H23N3O2/c1-2-24-17-9-10-18(21-13-17)19(23)22-16-7-5-14(6-8-16)15-4-3-11-20-12-15/h5-10,13,15,20H,2-4,11-12H2,1H3,(H,22,23)
InChIKeyZXBFZUHEABYPCW-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.20
Rot. Bonds5

About 5-ethoxy-N-(4-piperidin-3-ylphenyl)pyridine-2-carboxamide

5-ethoxy-N-(4-piperidin-3-ylphenyl)pyridine-2-carboxamide (PubChem CID 53252039) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 5-ethoxy-N-(4-piperidin-3-ylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-ethoxy-N-(4-piperidin-3-ylphenyl)pyridine-2-carboxamide
PubChem CID53252039
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name5-ethoxy-N-(4-piperidin-3-ylphenyl)pyridine-2-carboxamide
SMILESCCOc1ccc(C(=O)Nc2ccc(C3CCCNC3)cc2)nc1
InChIInChI=1S/C19H23N3O2/c1-2-24-17-9-10-18(21-13-17)19(23)22-16-7-5-14(6-8-16)15-4-3-11-20-12-15/h5-10,13,15,20H,2-4,11-12H2,1H3,(H,22,23)
InChIKeyZXBFZUHEABYPCW-UHFFFAOYSA-N
XLogP3.20
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-N-(4-piperidin-3-ylphenyl)pyridine-2-carboxamide?
The IUPAC name of 5-ethoxy-N-(4-piperidin-3-ylphenyl)pyridine-2-carboxamide (CID 53252039) is 5-ethoxy-N-(4-piperidin-3-ylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-ethoxy-N-(4-piperidin-3-ylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 5-ethoxy-N-(4-piperidin-3-ylphenyl)pyridine-2-carboxamide is CCOc1ccc(C(=O)Nc2ccc(C3CCCNC3)cc2)nc1.
What is the InChIKey of 5-ethoxy-N-(4-piperidin-3-ylphenyl)pyridine-2-carboxamide?
The InChIKey is ZXBFZUHEABYPCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-2-24-17-9-10-18(21-13-17)19(23)22-16-7-5-14(6-8-16)15-4-3-11-20-12-15/h5-10,13,15,20H,2-4,11-12H2,1H3,(H,22,23).
What are the key properties of 5-ethoxy-N-(4-piperidin-3-ylphenyl)pyridine-2-carboxamide?
5-ethoxy-N-(4-piperidin-3-ylphenyl)pyridine-2-carboxamide has a molecular weight of 325.41 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-N-(4-piperidin-3-ylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 53252039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).