N-(1-ethoxy-3-methylbutan-2-yl)-5-hydroxypyridine-3-carboxamide

C13H20N2O3 — CID 103282636

IUPACN-(1-ethoxy-3-methylbutan-2-yl)-5-hydroxypyridine-3-carboxamide
SMILESCCOCC(NC(=O)c1cncc(O)c1)C(C)C
InChIInChI=1S/C13H20N2O3/c1-4-18-8-12(9(2)3)15-13(17)10-5-11(16)7-14-6-10/h5-7,9,12,16H,4,8H2,1-3H3,(H,15,17)
InChIKeyYPINVDXQTHGFRZ-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.58
Rot. Bonds6

About N-(1-ethoxy-3-methylbutan-2-yl)-5-hydroxypyridine-3-carboxamide

N-(1-ethoxy-3-methylbutan-2-yl)-5-hydroxypyridine-3-carboxamide (PubChem CID 103282636) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is N-(1-ethoxy-3-methylbutan-2-yl)-5-hydroxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-ethoxy-3-methylbutan-2-yl)-5-hydroxypyridine-3-carboxamide
PubChem CID103282636
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC NameN-(1-ethoxy-3-methylbutan-2-yl)-5-hydroxypyridine-3-carboxamide
SMILESCCOCC(NC(=O)c1cncc(O)c1)C(C)C
InChIInChI=1S/C13H20N2O3/c1-4-18-8-12(9(2)3)15-13(17)10-5-11(16)7-14-6-10/h5-7,9,12,16H,4,8H2,1-3H3,(H,15,17)
InChIKeyYPINVDXQTHGFRZ-UHFFFAOYSA-N
XLogP1.58
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-hydroxy-N-propan-2-ylpyridine-3-carboxamide
CID 63864751
5-iodo-N-[(2S)-1-methoxy-3-methylbutan-2-yl]pyridine-3-carboxamide
CID 97327743
methyl (2S)-2-[(5-hydroxypyridine-3-carbonyl)amino]propanoate
CID 63860111
5-hydroxy-N-(4-hydroxybutan-2-yl)pyridine-3-carboxamide
CID 115283714
5-hydroxy-N-[(2S)-1-hydroxybutan-2-yl]pyridine-3-carboxamide
CID 104981468
5-hydroxy-N-(3-methoxy-2-methylpropyl)pyridine-3-carboxamide
CID 63858922
N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-5-hydroxypyridine-3-carboxamide
CID 103110784
N-(1-ethoxy-3-methylbutan-2-yl)-3-fluoropyridine-4-carboxamide
CID 103274823
3-chloro-N-(1-ethoxy-3-methylbutan-2-yl)-4-iodobenzamide
CID 114113915
N-(1-amino-3-methylbutan-2-yl)-5-bromopyridine-3-carboxamide
CID 65191624
5-chloro-N-(1-ethoxy-3-methylbutan-2-yl)pyrazine-2-carboxamide
CID 107258530
5-hydroxy-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]pyridine-3-carboxamide
CID 63860622

Frequently Asked Questions

What is the IUPAC name of N-(1-ethoxy-3-methylbutan-2-yl)-5-hydroxypyridine-3-carboxamide?
The IUPAC name of N-(1-ethoxy-3-methylbutan-2-yl)-5-hydroxypyridine-3-carboxamide (CID 103282636) is N-(1-ethoxy-3-methylbutan-2-yl)-5-hydroxypyridine-3-carboxamide.
What is the SMILES notation for N-(1-ethoxy-3-methylbutan-2-yl)-5-hydroxypyridine-3-carboxamide?
The canonical SMILES for N-(1-ethoxy-3-methylbutan-2-yl)-5-hydroxypyridine-3-carboxamide is CCOCC(NC(=O)c1cncc(O)c1)C(C)C.
What is the InChIKey of N-(1-ethoxy-3-methylbutan-2-yl)-5-hydroxypyridine-3-carboxamide?
The InChIKey is YPINVDXQTHGFRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-4-18-8-12(9(2)3)15-13(17)10-5-11(16)7-14-6-10/h5-7,9,12,16H,4,8H2,1-3H3,(H,15,17).
What are the key properties of N-(1-ethoxy-3-methylbutan-2-yl)-5-hydroxypyridine-3-carboxamide?
N-(1-ethoxy-3-methylbutan-2-yl)-5-hydroxypyridine-3-carboxamide has a molecular weight of 252.31 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethoxy-3-methylbutan-2-yl)-5-hydroxypyridine-3-carboxamide is sourced from PubChem (CID 103282636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).