6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-N-(oxan-4-ylmethyl)pyridine-3-carboxamide

C18H28N2O4 — CID 91625401

IUPAC6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-N-(oxan-4-ylmethyl)pyridine-3-carboxamide
SMILESCC(C)(C)OCCOc1ccc(C(=O)NCC2CCOCC2)cn1
InChIInChI=1S/C18H28N2O4/c1-18(2,3)24-11-10-23-16-5-4-15(13-19-16)17(21)20-12-14-6-8-22-9-7-14/h4-5,13-14H,6-12H2,1-3H3,(H,20,21)
InChIKeyPXCNKZDTKXTMRI-UHFFFAOYSA-N
MW336.43 g/mol
LogP2.43
Rot. Bonds7

About 6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-N-(oxan-4-ylmethyl)pyridine-3-carboxamide

6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-N-(oxan-4-ylmethyl)pyridine-3-carboxamide (PubChem CID 91625401) has the molecular formula C18H28N2O4 and a molecular weight of 336.43 g/mol. Its IUPAC name is 6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-N-(oxan-4-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-N-(oxan-4-ylmethyl)pyridine-3-carboxamide
PubChem CID91625401
Molecular FormulaC18H28N2O4
Molecular Weight336.43 g/mol
Exact Mass336.20
IUPAC Name6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-N-(oxan-4-ylmethyl)pyridine-3-carboxamide
SMILESCC(C)(C)OCCOc1ccc(C(=O)NCC2CCOCC2)cn1
InChIInChI=1S/C18H28N2O4/c1-18(2,3)24-11-10-23-16-5-4-15(13-19-16)17(21)20-12-14-6-8-22-9-7-14/h4-5,13-14H,6-12H2,1-3H3,(H,20,21)
InChIKeyPXCNKZDTKXTMRI-UHFFFAOYSA-N
XLogP2.43
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[3-[[6-(oxan-4-ylmethoxy)pyridine-3-carbonyl]amino]propyl]carbamate
CID 91815444
4-methyl-N-(oxan-4-ylmethyl)benzamide
CID 110736358
N-(furan-2-ylmethyl)-6-(oxan-4-ylmethoxy)pyridine-3-carboxamide
CID 91815405
N-[(4-chlorophenyl)methyl]-6-(oxan-4-ylmethoxy)pyridine-3-carboxamide
CID 91815404
N,N-dimethyl-6-(oxan-4-ylmethoxy)pyridine-3-carboxamide
CID 91815390
4-chloro-N-(oxan-4-ylmethyl)benzamide
CID 110736386
4-amino-N-(oxan-4-ylmethyl)benzamide
CID 63727258
3,4-dichloro-N-(oxan-4-ylmethyl)benzamide
CID 110736364
N-[2-(2-methylindol-1-yl)ethyl]-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine-3-carboxamide
CID 91625403
N-benzhydryl-6-(oxan-4-ylmethoxy)pyridine-3-carboxamide
CID 91815403
4-(3-cyano-2-pyridinyl)-N-(oxan-4-ylmethyl)benzamide
CID 119064776
[4-(oxan-4-ylmethylcarbamoyl)phenyl]carbamic acid
CID 90422434

Frequently Asked Questions

What is the IUPAC name of 6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-N-(oxan-4-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-N-(oxan-4-ylmethyl)pyridine-3-carboxamide (CID 91625401) is 6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-N-(oxan-4-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-N-(oxan-4-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-N-(oxan-4-ylmethyl)pyridine-3-carboxamide is CC(C)(C)OCCOc1ccc(C(=O)NCC2CCOCC2)cn1.
What is the InChIKey of 6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-N-(oxan-4-ylmethyl)pyridine-3-carboxamide?
The InChIKey is PXCNKZDTKXTMRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4/c1-18(2,3)24-11-10-23-16-5-4-15(13-19-16)17(21)20-12-14-6-8-22-9-7-14/h4-5,13-14H,6-12H2,1-3H3,(H,20,21).
What are the key properties of 6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-N-(oxan-4-ylmethyl)pyridine-3-carboxamide?
6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-N-(oxan-4-ylmethyl)pyridine-3-carboxamide has a molecular weight of 336.43 g/mol, XLogP of 2.43, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-N-(oxan-4-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 91625401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).