N-(2,2-diethyl-3-methoxycyclobutyl)-5-hydroxypyridine-3-carboxamide

C15H22N2O3 — CID 136515941

IUPACN-(2,2-diethyl-3-methoxycyclobutyl)-5-hydroxypyridine-3-carboxamide
SMILESCCC1(CC)C(NC(=O)c2cncc(O)c2)CC1OC
InChIInChI=1S/C15H22N2O3/c1-4-15(5-2)12(7-13(15)20-3)17-14(19)10-6-11(18)9-16-8-10/h6,8-9,12-13,18H,4-5,7H2,1-3H3,(H,17,19)
InChIKeyADVJBQXOFZLXSX-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.11
Rot. Bonds5

About N-(2,2-diethyl-3-methoxycyclobutyl)-5-hydroxypyridine-3-carboxamide

N-(2,2-diethyl-3-methoxycyclobutyl)-5-hydroxypyridine-3-carboxamide (PubChem CID 136515941) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is N-(2,2-diethyl-3-methoxycyclobutyl)-5-hydroxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-diethyl-3-methoxycyclobutyl)-5-hydroxypyridine-3-carboxamide
PubChem CID136515941
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC NameN-(2,2-diethyl-3-methoxycyclobutyl)-5-hydroxypyridine-3-carboxamide
SMILESCCC1(CC)C(NC(=O)c2cncc(O)c2)CC1OC
InChIInChI=1S/C15H22N2O3/c1-4-15(5-2)12(7-13(15)20-3)17-14(19)10-6-11(18)9-16-8-10/h6,8-9,12-13,18H,4-5,7H2,1-3H3,(H,17,19)
InChIKeyADVJBQXOFZLXSX-UHFFFAOYSA-N
XLogP2.11
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-diethyl-3-methoxycyclobutyl)-5-hydroxypyridine-3-carboxamide?
The IUPAC name of N-(2,2-diethyl-3-methoxycyclobutyl)-5-hydroxypyridine-3-carboxamide (CID 136515941) is N-(2,2-diethyl-3-methoxycyclobutyl)-5-hydroxypyridine-3-carboxamide.
What is the SMILES notation for N-(2,2-diethyl-3-methoxycyclobutyl)-5-hydroxypyridine-3-carboxamide?
The canonical SMILES for N-(2,2-diethyl-3-methoxycyclobutyl)-5-hydroxypyridine-3-carboxamide is CCC1(CC)C(NC(=O)c2cncc(O)c2)CC1OC.
What is the InChIKey of N-(2,2-diethyl-3-methoxycyclobutyl)-5-hydroxypyridine-3-carboxamide?
The InChIKey is ADVJBQXOFZLXSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-4-15(5-2)12(7-13(15)20-3)17-14(19)10-6-11(18)9-16-8-10/h6,8-9,12-13,18H,4-5,7H2,1-3H3,(H,17,19).
What are the key properties of N-(2,2-diethyl-3-methoxycyclobutyl)-5-hydroxypyridine-3-carboxamide?
N-(2,2-diethyl-3-methoxycyclobutyl)-5-hydroxypyridine-3-carboxamide has a molecular weight of 278.35 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diethyl-3-methoxycyclobutyl)-5-hydroxypyridine-3-carboxamide is sourced from PubChem (CID 136515941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).