N-(1,4-dioxan-2-ylmethyl)-6-[[ethyl(propyl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide

C17H27N3O4 — CID 70759802

IUPACN-(1,4-dioxan-2-ylmethyl)-6-[[ethyl(propyl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCCCN(CC)Cc1ccc(C(=O)NCC2COCCO2)c(=O)[nH]1
InChIInChI=1S/C17H27N3O4/c1-3-7-20(4-2)11-13-5-6-15(17(22)19-13)16(21)18-10-14-12-23-8-9-24-14/h5-6,14H,3-4,7-12H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyATGPFVAPPLJTCT-UHFFFAOYSA-N
MW337.42 g/mol
LogP0.75
Rot. Bonds8

About N-(1,4-dioxan-2-ylmethyl)-6-[[ethyl(propyl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide

N-(1,4-dioxan-2-ylmethyl)-6-[[ethyl(propyl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 70759802) has the molecular formula C17H27N3O4 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-(1,4-dioxan-2-ylmethyl)-6-[[ethyl(propyl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1,4-dioxan-2-ylmethyl)-6-[[ethyl(propyl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide
PubChem CID70759802
Molecular FormulaC17H27N3O4
Molecular Weight337.42 g/mol
Exact Mass337.20
IUPAC NameN-(1,4-dioxan-2-ylmethyl)-6-[[ethyl(propyl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCCCN(CC)Cc1ccc(C(=O)NCC2COCCO2)c(=O)[nH]1
InChIInChI=1S/C17H27N3O4/c1-3-7-20(4-2)11-13-5-6-15(17(22)19-13)16(21)18-10-14-12-23-8-9-24-14/h5-6,14H,3-4,7-12H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyATGPFVAPPLJTCT-UHFFFAOYSA-N
XLogP0.75
TPSA83.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxan-2-ylmethyl)-6-[[ethyl(propyl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-(1,4-dioxan-2-ylmethyl)-6-[[ethyl(propyl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide (CID 70759802) is N-(1,4-dioxan-2-ylmethyl)-6-[[ethyl(propyl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(1,4-dioxan-2-ylmethyl)-6-[[ethyl(propyl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(1,4-dioxan-2-ylmethyl)-6-[[ethyl(propyl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide is CCCN(CC)Cc1ccc(C(=O)NCC2COCCO2)c(=O)[nH]1.
What is the InChIKey of N-(1,4-dioxan-2-ylmethyl)-6-[[ethyl(propyl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is ATGPFVAPPLJTCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O4/c1-3-7-20(4-2)11-13-5-6-15(17(22)19-13)16(21)18-10-14-12-23-8-9-24-14/h5-6,14H,3-4,7-12H2,1-2H3,(H,18,21)(H,19,22).
What are the key properties of N-(1,4-dioxan-2-ylmethyl)-6-[[ethyl(propyl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide?
N-(1,4-dioxan-2-ylmethyl)-6-[[ethyl(propyl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 337.42 g/mol, XLogP of 0.75, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxan-2-ylmethyl)-6-[[ethyl(propyl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 70759802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).