N-(3-methoxypropyl)-4,6-dimethyl-N-(1-methylpiperidin-4-yl)-2-oxo-1H-pyridine-3-carboxamide

C18H29N3O3 — CID 56901293

IUPACN-(3-methoxypropyl)-4,6-dimethyl-N-(1-methylpiperidin-4-yl)-2-oxo-1H-pyridine-3-carboxamide
SMILESCOCCCN(C(=O)c1c(C)cc(C)[nH]c1=O)C1CCN(C)CC1
InChIInChI=1S/C18H29N3O3/c1-13-12-14(2)19-17(22)16(13)18(23)21(8-5-11-24-4)15-6-9-20(3)10-7-15/h12,15H,5-11H2,1-4H3,(H,19,22)
InChIKeyMTRLOJPHMOSXQK-UHFFFAOYSA-N
MW335.45 g/mol
LogP1.56
Rot. Bonds6

About N-(3-methoxypropyl)-4,6-dimethyl-N-(1-methylpiperidin-4-yl)-2-oxo-1H-pyridine-3-carboxamide

N-(3-methoxypropyl)-4,6-dimethyl-N-(1-methylpiperidin-4-yl)-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 56901293) has the molecular formula C18H29N3O3 and a molecular weight of 335.45 g/mol. Its IUPAC name is N-(3-methoxypropyl)-4,6-dimethyl-N-(1-methylpiperidin-4-yl)-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-4,6-dimethyl-N-(1-methylpiperidin-4-yl)-2-oxo-1H-pyridine-3-carboxamide
PubChem CID56901293
Molecular FormulaC18H29N3O3
Molecular Weight335.45 g/mol
Exact Mass335.22
IUPAC NameN-(3-methoxypropyl)-4,6-dimethyl-N-(1-methylpiperidin-4-yl)-2-oxo-1H-pyridine-3-carboxamide
SMILESCOCCCN(C(=O)c1c(C)cc(C)[nH]c1=O)C1CCN(C)CC1
InChIInChI=1S/C18H29N3O3/c1-13-12-14(2)19-17(22)16(13)18(23)21(8-5-11-24-4)15-6-9-20(3)10-7-15/h12,15H,5-11H2,1-4H3,(H,19,22)
InChIKeyMTRLOJPHMOSXQK-UHFFFAOYSA-N
XLogP1.56
TPSA65.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 51.56
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)-4,6-dimethyl-N-(1-methylpiperidin-4-yl)-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-(3-methoxypropyl)-4,6-dimethyl-N-(1-methylpiperidin-4-yl)-2-oxo-1H-pyridine-3-carboxamide (CID 56901293) is N-(3-methoxypropyl)-4,6-dimethyl-N-(1-methylpiperidin-4-yl)-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(3-methoxypropyl)-4,6-dimethyl-N-(1-methylpiperidin-4-yl)-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(3-methoxypropyl)-4,6-dimethyl-N-(1-methylpiperidin-4-yl)-2-oxo-1H-pyridine-3-carboxamide is COCCCN(C(=O)c1c(C)cc(C)[nH]c1=O)C1CCN(C)CC1.
What is the InChIKey of N-(3-methoxypropyl)-4,6-dimethyl-N-(1-methylpiperidin-4-yl)-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is MTRLOJPHMOSXQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3/c1-13-12-14(2)19-17(22)16(13)18(23)21(8-5-11-24-4)15-6-9-20(3)10-7-15/h12,15H,5-11H2,1-4H3,(H,19,22).
What are the key properties of N-(3-methoxypropyl)-4,6-dimethyl-N-(1-methylpiperidin-4-yl)-2-oxo-1H-pyridine-3-carboxamide?
N-(3-methoxypropyl)-4,6-dimethyl-N-(1-methylpiperidin-4-yl)-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 335.45 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-4,6-dimethyl-N-(1-methylpiperidin-4-yl)-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 56901293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).