6-oxo-N-(3-piperidin-4-yloxypropyl)-1H-pyridine-3-carboxamide

C14H21N3O3 — CID 63869273

IUPAC6-oxo-N-(3-piperidin-4-yloxypropyl)-1H-pyridine-3-carboxamide
SMILESO=C(NCCCOC1CCNCC1)c1ccc(=O)[nH]c1
InChIInChI=1S/C14H21N3O3/c18-13-3-2-11(10-17-13)14(19)16-6-1-9-20-12-4-7-15-8-5-12/h2-3,10,12,15H,1,4-9H2,(H,16,19)(H,17,18)
InChIKeyPHUCTXKPRNESSO-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.26
Rot. Bonds6

About 6-oxo-N-(3-piperidin-4-yloxypropyl)-1H-pyridine-3-carboxamide

6-oxo-N-(3-piperidin-4-yloxypropyl)-1H-pyridine-3-carboxamide (PubChem CID 63869273) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 6-oxo-N-(3-piperidin-4-yloxypropyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-(3-piperidin-4-yloxypropyl)-1H-pyridine-3-carboxamide
PubChem CID63869273
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name6-oxo-N-(3-piperidin-4-yloxypropyl)-1H-pyridine-3-carboxamide
SMILESO=C(NCCCOC1CCNCC1)c1ccc(=O)[nH]c1
InChIInChI=1S/C14H21N3O3/c18-13-3-2-11(10-17-13)14(19)16-6-1-9-20-12-4-7-15-8-5-12/h2-3,10,12,15H,1,4-9H2,(H,16,19)(H,17,18)
InChIKeyPHUCTXKPRNESSO-UHFFFAOYSA-N
XLogP0.26
TPSA83.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-(3-piperidin-4-yloxypropyl)-1H-pyridine-3-carboxamide?
The IUPAC name of 6-oxo-N-(3-piperidin-4-yloxypropyl)-1H-pyridine-3-carboxamide (CID 63869273) is 6-oxo-N-(3-piperidin-4-yloxypropyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-(3-piperidin-4-yloxypropyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-oxo-N-(3-piperidin-4-yloxypropyl)-1H-pyridine-3-carboxamide is O=C(NCCCOC1CCNCC1)c1ccc(=O)[nH]c1.
What is the InChIKey of 6-oxo-N-(3-piperidin-4-yloxypropyl)-1H-pyridine-3-carboxamide?
The InChIKey is PHUCTXKPRNESSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c18-13-3-2-11(10-17-13)14(19)16-6-1-9-20-12-4-7-15-8-5-12/h2-3,10,12,15H,1,4-9H2,(H,16,19)(H,17,18).
What are the key properties of 6-oxo-N-(3-piperidin-4-yloxypropyl)-1H-pyridine-3-carboxamide?
6-oxo-N-(3-piperidin-4-yloxypropyl)-1H-pyridine-3-carboxamide has a molecular weight of 279.34 g/mol, XLogP of 0.26, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-(3-piperidin-4-yloxypropyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 63869273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).