N-(2-amino-3-hydroxybutyl)-2-methoxypyridine-3-carboxamide

C11H17N3O3 — CID 64541044

IUPACN-(2-amino-3-hydroxybutyl)-2-methoxypyridine-3-carboxamide
SMILESCOc1ncccc1C(=O)NCC(N)C(C)O
InChIInChI=1S/C11H17N3O3/c1-7(15)9(12)6-14-10(16)8-4-3-5-13-11(8)17-2/h3-5,7,9,15H,6,12H2,1-2H3,(H,14,16)
InChIKeyGTYVJTTVDABQJE-UHFFFAOYSA-N
MW239.27 g/mol
LogP-0.47
Rot. Bonds5

About N-(2-amino-3-hydroxybutyl)-2-methoxypyridine-3-carboxamide

N-(2-amino-3-hydroxybutyl)-2-methoxypyridine-3-carboxamide (PubChem CID 64541044) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is N-(2-amino-3-hydroxybutyl)-2-methoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-3-hydroxybutyl)-2-methoxypyridine-3-carboxamide
PubChem CID64541044
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC NameN-(2-amino-3-hydroxybutyl)-2-methoxypyridine-3-carboxamide
SMILESCOc1ncccc1C(=O)NCC(N)C(C)O
InChIInChI=1S/C11H17N3O3/c1-7(15)9(12)6-14-10(16)8-4-3-5-13-11(8)17-2/h3-5,7,9,15H,6,12H2,1-2H3,(H,14,16)
InChIKeyGTYVJTTVDABQJE-UHFFFAOYSA-N
XLogP-0.47
TPSA97.47 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 5-0.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-N-[(2S)-2-sulfamoylpropyl]pyridine-3-carboxamide
CID 97253087
N-[2-(2-chlorophenyl)-2-hydroxyethyl]-2-methoxypyridine-3-carboxamide
CID 111451178
2-methoxy-N-[(2R)-2-(N-methylanilino)propyl]pyridine-3-carboxamide
CID 51725711
N-(2-hydroxy-2-methylpropyl)-2-methoxypyridine-3-carboxamide
CID 65109453
N-(5-hydroxypentyl)-2-methoxypyridine-3-carboxamide
CID 107318362
N-(4-hydroxypentan-2-yl)-2-methoxypyridine-3-carboxamide
CID 113376564
N-(3-chloropropyl)-2-methoxypyridine-3-carboxamide
CID 62873972
2-(difluoromethoxy)-N-(2-hydroxypropyl)pyridine-3-carboxamide
CID 166385426
(3S)-4-[(2-methoxypyridine-3-carbonyl)amino]-3-phenylbutanoate
CID 6999499
3-[(2-methoxypyridine-3-carbonyl)amino]butanoic acid
CID 43360879
N-[(2-hydroxyphenyl)methyl]-2-methoxypyridine-3-carboxamide
CID 115598782
N-[(4-aminocyclohexyl)methyl]-2-methoxypyridine-3-carboxamide
CID 106124683

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-3-hydroxybutyl)-2-methoxypyridine-3-carboxamide?
The IUPAC name of N-(2-amino-3-hydroxybutyl)-2-methoxypyridine-3-carboxamide (CID 64541044) is N-(2-amino-3-hydroxybutyl)-2-methoxypyridine-3-carboxamide.
What is the SMILES notation for N-(2-amino-3-hydroxybutyl)-2-methoxypyridine-3-carboxamide?
The canonical SMILES for N-(2-amino-3-hydroxybutyl)-2-methoxypyridine-3-carboxamide is COc1ncccc1C(=O)NCC(N)C(C)O.
What is the InChIKey of N-(2-amino-3-hydroxybutyl)-2-methoxypyridine-3-carboxamide?
The InChIKey is GTYVJTTVDABQJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-7(15)9(12)6-14-10(16)8-4-3-5-13-11(8)17-2/h3-5,7,9,15H,6,12H2,1-2H3,(H,14,16).
What are the key properties of N-(2-amino-3-hydroxybutyl)-2-methoxypyridine-3-carboxamide?
N-(2-amino-3-hydroxybutyl)-2-methoxypyridine-3-carboxamide has a molecular weight of 239.27 g/mol, XLogP of -0.47, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-3-hydroxybutyl)-2-methoxypyridine-3-carboxamide is sourced from PubChem (CID 64541044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).