5-amino-N-[(2R)-1-hydroxybutan-2-yl]-2-methylpyridine-3-carboxamide

C11H17N3O2 — CID 93467826

IUPAC5-amino-N-[(2R)-1-hydroxybutan-2-yl]-2-methylpyridine-3-carboxamide
SMILESCC[C@H](CO)NC(=O)c1cc(N)cnc1C
InChIInChI=1S/C11H17N3O2/c1-3-9(6-15)14-11(16)10-4-8(12)5-13-7(10)2/h4-5,9,15H,3,6,12H2,1-2H3,(H,14,16)/t9-/m1/s1
InChIKeyTZMHAJRYRABWOR-SECBINFHSA-N
MW223.28 g/mol
LogP0.47
Rot. Bonds4

About 5-amino-N-[(2R)-1-hydroxybutan-2-yl]-2-methylpyridine-3-carboxamide

5-amino-N-[(2R)-1-hydroxybutan-2-yl]-2-methylpyridine-3-carboxamide (PubChem CID 93467826) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 5-amino-N-[(2R)-1-hydroxybutan-2-yl]-2-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-amino-N-[(2R)-1-hydroxybutan-2-yl]-2-methylpyridine-3-carboxamide
PubChem CID93467826
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name5-amino-N-[(2R)-1-hydroxybutan-2-yl]-2-methylpyridine-3-carboxamide
SMILESCC[C@H](CO)NC(=O)c1cc(N)cnc1C
InChIInChI=1S/C11H17N3O2/c1-3-9(6-15)14-11(16)10-4-8(12)5-13-7(10)2/h4-5,9,15H,3,6,12H2,1-2H3,(H,14,16)/t9-/m1/s1
InChIKeyTZMHAJRYRABWOR-SECBINFHSA-N
XLogP0.47
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpyridine-3-carboxamide
CID 107861835
5-amino-2-methyl-N-pentan-2-ylpyridine-3-carboxamide
CID 61040311
5-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]-2-methylpyridine-3-carboxamide
CID 54917105
N-(1-hydroxybutan-2-yl)-3,6-dimethylpyridazine-4-carboxamide
CID 115875451
[2-oxo-2-(pentan-3-ylamino)ethyl] 5-amino-2-methylpyridine-3-carboxylate
CID 61490232
4-amino-N-[(2R)-1-hydroxybutan-2-yl]-2-methylbenzamide
CID 107211238
5-amino-2-bromo-N-[(2S)-1-hydroxybutan-2-yl]benzamide
CID 107211516
5-amino-N-[1-(4-ethylphenyl)ethyl]-2-methylpyridine-3-carboxamide
CID 61139068
5-amino-2-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-3-carboxamide
CID 54917009
methyl 2-[(5-amino-2-methylpyridine-3-carbonyl)amino]-3-methylbutanoate
CID 54917349
2-ethylbutyl 5-amino-2-methylpyridine-3-carboxylate
CID 82930895
2-amino-N-[(2S)-1-hydroxybutan-2-yl]-5-methylbenzamide
CID 107211525

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(2R)-1-hydroxybutan-2-yl]-2-methylpyridine-3-carboxamide?
The IUPAC name of 5-amino-N-[(2R)-1-hydroxybutan-2-yl]-2-methylpyridine-3-carboxamide (CID 93467826) is 5-amino-N-[(2R)-1-hydroxybutan-2-yl]-2-methylpyridine-3-carboxamide.
What is the SMILES notation for 5-amino-N-[(2R)-1-hydroxybutan-2-yl]-2-methylpyridine-3-carboxamide?
The canonical SMILES for 5-amino-N-[(2R)-1-hydroxybutan-2-yl]-2-methylpyridine-3-carboxamide is CC[C@H](CO)NC(=O)c1cc(N)cnc1C.
What is the InChIKey of 5-amino-N-[(2R)-1-hydroxybutan-2-yl]-2-methylpyridine-3-carboxamide?
The InChIKey is TZMHAJRYRABWOR-SECBINFHSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-3-9(6-15)14-11(16)10-4-8(12)5-13-7(10)2/h4-5,9,15H,3,6,12H2,1-2H3,(H,14,16)/t9-/m1/s1.
What are the key properties of 5-amino-N-[(2R)-1-hydroxybutan-2-yl]-2-methylpyridine-3-carboxamide?
5-amino-N-[(2R)-1-hydroxybutan-2-yl]-2-methylpyridine-3-carboxamide has a molecular weight of 223.28 g/mol, XLogP of 0.47, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(2R)-1-hydroxybutan-2-yl]-2-methylpyridine-3-carboxamide is sourced from PubChem (CID 93467826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).