2-butan-2-yloxy-N-methyl-N-(oxan-2-ylmethyl)pyridine-4-carboxamide

C17H26N2O3 — CID 86782770

IUPAC2-butan-2-yloxy-N-methyl-N-(oxan-2-ylmethyl)pyridine-4-carboxamide
SMILESCCC(C)Oc1cc(C(=O)N(C)CC2CCCCO2)ccn1
InChIInChI=1S/C17H26N2O3/c1-4-13(2)22-16-11-14(8-9-18-16)17(20)19(3)12-15-7-5-6-10-21-15/h8-9,11,13,15H,4-7,10,12H2,1-3H3
InChIKeyKHYLCBXFTZXDEN-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.90
Rot. Bonds6

About 2-butan-2-yloxy-N-methyl-N-(oxan-2-ylmethyl)pyridine-4-carboxamide

2-butan-2-yloxy-N-methyl-N-(oxan-2-ylmethyl)pyridine-4-carboxamide (PubChem CID 86782770) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 2-butan-2-yloxy-N-methyl-N-(oxan-2-ylmethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-butan-2-yloxy-N-methyl-N-(oxan-2-ylmethyl)pyridine-4-carboxamide
PubChem CID86782770
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name2-butan-2-yloxy-N-methyl-N-(oxan-2-ylmethyl)pyridine-4-carboxamide
SMILESCCC(C)Oc1cc(C(=O)N(C)CC2CCCCO2)ccn1
InChIInChI=1S/C17H26N2O3/c1-4-13(2)22-16-11-14(8-9-18-16)17(20)19(3)12-15-7-5-6-10-21-15/h8-9,11,13,15H,4-7,10,12H2,1-3H3
InChIKeyKHYLCBXFTZXDEN-UHFFFAOYSA-N
XLogP2.90
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-N-methyl-N-(oxan-2-ylmethyl)pyridine-4-carboxamide
CID 61435800
N-methyl-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide
CID 110733149
N-methyl-N-[[(2R)-oxan-2-yl]methyl]-2-propan-2-ylpyrimidine-4-carboxamide
CID 95550396
3-[(2-butan-2-yloxypyridine-4-carbonyl)-cyclopropylamino]-2-methylpropanoic acid
CID 120535265
N-methyl-N-[[(2R)-oxan-2-yl]methyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 95217132
N-methyl-N-(oxolan-2-ylmethyl)-2,1,3-benzoxadiazole-5-carboxamide
CID 25104174
5,6-dichloro-N-methyl-N-(oxan-2-ylmethyl)pyridine-3-carboxamide
CID 61218020
3-(chloromethyl)-N-methyl-N-(oxan-2-ylmethyl)benzamide
CID 61435695
4-amino-N-methyl-N-(oxan-2-ylmethyl)benzamide;hydrochloride
CID 119746333
N-methyl-N-[[(2S)-oxan-2-yl]methyl]-2-pyridin-2-ylpyrimidine-5-carboxamide
CID 95551213
2-amino-N-ethyl-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide
CID 55041803
2-(ethylamino)-N-methyl-N-(oxan-2-ylmethyl)pyridine-3-carboxamide
CID 62179768

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yloxy-N-methyl-N-(oxan-2-ylmethyl)pyridine-4-carboxamide?
The IUPAC name of 2-butan-2-yloxy-N-methyl-N-(oxan-2-ylmethyl)pyridine-4-carboxamide (CID 86782770) is 2-butan-2-yloxy-N-methyl-N-(oxan-2-ylmethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-butan-2-yloxy-N-methyl-N-(oxan-2-ylmethyl)pyridine-4-carboxamide?
The canonical SMILES for 2-butan-2-yloxy-N-methyl-N-(oxan-2-ylmethyl)pyridine-4-carboxamide is CCC(C)Oc1cc(C(=O)N(C)CC2CCCCO2)ccn1.
What is the InChIKey of 2-butan-2-yloxy-N-methyl-N-(oxan-2-ylmethyl)pyridine-4-carboxamide?
The InChIKey is KHYLCBXFTZXDEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-4-13(2)22-16-11-14(8-9-18-16)17(20)19(3)12-15-7-5-6-10-21-15/h8-9,11,13,15H,4-7,10,12H2,1-3H3.
What are the key properties of 2-butan-2-yloxy-N-methyl-N-(oxan-2-ylmethyl)pyridine-4-carboxamide?
2-butan-2-yloxy-N-methyl-N-(oxan-2-ylmethyl)pyridine-4-carboxamide has a molecular weight of 306.41 g/mol, XLogP of 2.90, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yloxy-N-methyl-N-(oxan-2-ylmethyl)pyridine-4-carboxamide is sourced from PubChem (CID 86782770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).