5-amino-N-(1-hydroxy-3-methylpentan-3-yl)-2-methylpyridine-3-carboxamide

C13H21N3O2 — CID 114152401

IUPAC5-amino-N-(1-hydroxy-3-methylpentan-3-yl)-2-methylpyridine-3-carboxamide
SMILESCCC(C)(CCO)NC(=O)c1cc(N)cnc1C
InChIInChI=1S/C13H21N3O2/c1-4-13(3,5-6-17)16-12(18)11-7-10(14)8-15-9(11)2/h7-8,17H,4-6,14H2,1-3H3,(H,16,18)
InChIKeyLRYPZJBAVKLIMH-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.25
Rot. Bonds5

About 5-amino-N-(1-hydroxy-3-methylpentan-3-yl)-2-methylpyridine-3-carboxamide

5-amino-N-(1-hydroxy-3-methylpentan-3-yl)-2-methylpyridine-3-carboxamide (PubChem CID 114152401) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 5-amino-N-(1-hydroxy-3-methylpentan-3-yl)-2-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-amino-N-(1-hydroxy-3-methylpentan-3-yl)-2-methylpyridine-3-carboxamide
PubChem CID114152401
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name5-amino-N-(1-hydroxy-3-methylpentan-3-yl)-2-methylpyridine-3-carboxamide
SMILESCCC(C)(CCO)NC(=O)c1cc(N)cnc1C
InChIInChI=1S/C13H21N3O2/c1-4-13(3,5-6-17)16-12(18)11-7-10(14)8-15-9(11)2/h7-8,17H,4-6,14H2,1-3H3,(H,16,18)
InChIKeyLRYPZJBAVKLIMH-UHFFFAOYSA-N
XLogP1.25
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-methylpyridine-3-carboxamide
CID 106095327
2,4,5-trifluoro-N-(1-hydroxy-3-methylpentan-3-yl)benzamide
CID 110002324
2,4-difluoro-N-(1-hydroxy-3-methylpentan-3-yl)-5-methylbenzamide
CID 103945944
N-(1-hydroxy-3-methylpentan-3-yl)-2-methyl-5-sulfanylbenzamide
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5-amino-N-[(2R)-1-hydroxybutan-2-yl]-2-methylpyridine-3-carboxamide
CID 93467826
3-chloro-N-[(3S)-1-hydroxy-3-methylpentan-3-yl]pyridine-4-carboxamide
CID 97340426
4-amino-3-hydroxy-N-(1-hydroxy-3-methylpentan-3-yl)benzamide
CID 106164060
5-amino-2-methyl-N-pentan-2-ylpyridine-3-carboxamide
CID 61040311
N-(1-hydroxy-3-methylpentan-3-yl)-2-methylfuran-3-carboxamide
CID 103946130
2-amino-3-chloro-N-(1-hydroxy-3-methylpentan-3-yl)benzamide
CID 106164041
N-(1-hydroxy-3-methylpentan-3-yl)quinoline-5-carboxamide
CID 103946162
1-chloro-N-(1-hydroxy-3-methylpentan-3-yl)isoquinoline-4-carboxamide
CID 106834452

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(1-hydroxy-3-methylpentan-3-yl)-2-methylpyridine-3-carboxamide?
The IUPAC name of 5-amino-N-(1-hydroxy-3-methylpentan-3-yl)-2-methylpyridine-3-carboxamide (CID 114152401) is 5-amino-N-(1-hydroxy-3-methylpentan-3-yl)-2-methylpyridine-3-carboxamide.
What is the SMILES notation for 5-amino-N-(1-hydroxy-3-methylpentan-3-yl)-2-methylpyridine-3-carboxamide?
The canonical SMILES for 5-amino-N-(1-hydroxy-3-methylpentan-3-yl)-2-methylpyridine-3-carboxamide is CCC(C)(CCO)NC(=O)c1cc(N)cnc1C.
What is the InChIKey of 5-amino-N-(1-hydroxy-3-methylpentan-3-yl)-2-methylpyridine-3-carboxamide?
The InChIKey is LRYPZJBAVKLIMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-4-13(3,5-6-17)16-12(18)11-7-10(14)8-15-9(11)2/h7-8,17H,4-6,14H2,1-3H3,(H,16,18).
What are the key properties of 5-amino-N-(1-hydroxy-3-methylpentan-3-yl)-2-methylpyridine-3-carboxamide?
5-amino-N-(1-hydroxy-3-methylpentan-3-yl)-2-methylpyridine-3-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 1.25, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(1-hydroxy-3-methylpentan-3-yl)-2-methylpyridine-3-carboxamide is sourced from PubChem (CID 114152401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).