N-(3-methoxypropyl)-N-(1-methylpiperidin-4-yl)-6-oxo-1H-pyridine-3-carboxamide

C16H25N3O3 — CID 56901170

IUPACN-(3-methoxypropyl)-N-(1-methylpiperidin-4-yl)-6-oxo-1H-pyridine-3-carboxamide
SMILESCOCCCN(C(=O)c1ccc(=O)[nH]c1)C1CCN(C)CC1
InChIInChI=1S/C16H25N3O3/c1-18-9-6-14(7-10-18)19(8-3-11-22-2)16(21)13-4-5-15(20)17-12-13/h4-5,12,14H,3,6-11H2,1-2H3,(H,17,20)
InChIKeyQICASRQUHJLVIQ-UHFFFAOYSA-N
MW307.39 g/mol
LogP0.95
Rot. Bonds6

About N-(3-methoxypropyl)-N-(1-methylpiperidin-4-yl)-6-oxo-1H-pyridine-3-carboxamide

N-(3-methoxypropyl)-N-(1-methylpiperidin-4-yl)-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 56901170) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is N-(3-methoxypropyl)-N-(1-methylpiperidin-4-yl)-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-N-(1-methylpiperidin-4-yl)-6-oxo-1H-pyridine-3-carboxamide
PubChem CID56901170
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC NameN-(3-methoxypropyl)-N-(1-methylpiperidin-4-yl)-6-oxo-1H-pyridine-3-carboxamide
SMILESCOCCCN(C(=O)c1ccc(=O)[nH]c1)C1CCN(C)CC1
InChIInChI=1S/C16H25N3O3/c1-18-9-6-14(7-10-18)19(8-3-11-22-2)16(21)13-4-5-15(20)17-12-13/h4-5,12,14H,3,6-11H2,1-2H3,(H,17,20)
InChIKeyQICASRQUHJLVIQ-UHFFFAOYSA-N
XLogP0.95
TPSA65.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 50.95
H-Bond Donors ≤ 51
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 N-(3-methoxypropyl)-N-(1-methylpiperidin-4-yl)-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-(3-methoxypropyl)-N-(1-methylpiperidin-4-yl)-6-oxo-1H-pyridine-3-carboxamide (CID 56901170) is N-(3-methoxypropyl)-N-(1-methylpiperidin-4-yl)-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(3-methoxypropyl)-N-(1-methylpiperidin-4-yl)-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(3-methoxypropyl)-N-(1-methylpiperidin-4-yl)-6-oxo-1H-pyridine-3-carboxamide is COCCCN(C(=O)c1ccc(=O)[nH]c1)C1CCN(C)CC1.
What is the InChIKey of N-(3-methoxypropyl)-N-(1-methylpiperidin-4-yl)-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is QICASRQUHJLVIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-18-9-6-14(7-10-18)19(8-3-11-22-2)16(21)13-4-5-15(20)17-12-13/h4-5,12,14H,3,6-11H2,1-2H3,(H,17,20).
What are the key properties of N-(3-methoxypropyl)-N-(1-methylpiperidin-4-yl)-6-oxo-1H-pyridine-3-carboxamide?
N-(3-methoxypropyl)-N-(1-methylpiperidin-4-yl)-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 307.39 g/mol, XLogP of 0.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-N-(1-methylpiperidin-4-yl)-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 56901170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).