N-[3-(dimethylamino)-2-hydroxypropyl]pyridine-3-carboxamide

C11H17N3O2 — CID 110281404

IUPACN-[3-(dimethylamino)-2-hydroxypropyl]pyridine-3-carboxamide
SMILESCN(C)CC(O)CNC(=O)c1cccnc1
InChIInChI=1S/C11H17N3O2/c1-14(2)8-10(15)7-13-11(16)9-4-3-5-12-6-9/h3-6,10,15H,7-8H2,1-2H3,(H,13,16)
InChIKeyXLFICBQWFGCANA-UHFFFAOYSA-N
MW223.28 g/mol
LogP-0.27
Rot. Bonds5

About N-[3-(dimethylamino)-2-hydroxypropyl]pyridine-3-carboxamide

N-[3-(dimethylamino)-2-hydroxypropyl]pyridine-3-carboxamide (PubChem CID 110281404) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is N-[3-(dimethylamino)-2-hydroxypropyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)-2-hydroxypropyl]pyridine-3-carboxamide
PubChem CID110281404
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC NameN-[3-(dimethylamino)-2-hydroxypropyl]pyridine-3-carboxamide
SMILESCN(C)CC(O)CNC(=O)c1cccnc1
InChIInChI=1S/C11H17N3O2/c1-14(2)8-10(15)7-13-11(16)9-4-3-5-12-6-9/h3-6,10,15H,7-8H2,1-2H3,(H,13,16)
InChIKeyXLFICBQWFGCANA-UHFFFAOYSA-N
XLogP-0.27
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide
CID 39237258
N-[(2R)-2-hydroxy-3-[(1S)-1-phenylethoxy]propyl]pyridine-3-carboxamide
CID 96538610
methyl 2-hydroxy-3-(pyridine-3-carbonylamino)propanoate
CID 103879213
2-methyl-3-(pyridine-3-carbonylamino)propanoic acid
CID 53211442
N-(2-phenylpropyl)pyridine-3-carboxamide
CID 46446505
N-(2-fluoro-3-hydroxy-3-methylbutyl)pyridine-3-carboxamide
CID 118210842
N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide
CID 140896583
N-[(2S)-3-(dimethylamino)-2-hydroxypropyl]-2-(methylamino)pyridine-3-carboxamide
CID 125436111
phenyl (2S,3R)-3-hydroxy-2-[(pyridine-3-carbonylamino)methyl]butanoate
CID 164711213
N-[(2R)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]pyridine-3-carboxamide
CID 95191423
N-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]pyridine-3-carboxamide
CID 95191422
N-[2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]pyridine-3-carboxamide
CID 51094308

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)-2-hydroxypropyl]pyridine-3-carboxamide?
The IUPAC name of N-[3-(dimethylamino)-2-hydroxypropyl]pyridine-3-carboxamide (CID 110281404) is N-[3-(dimethylamino)-2-hydroxypropyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)-2-hydroxypropyl]pyridine-3-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)-2-hydroxypropyl]pyridine-3-carboxamide is CN(C)CC(O)CNC(=O)c1cccnc1.
What is the InChIKey of N-[3-(dimethylamino)-2-hydroxypropyl]pyridine-3-carboxamide?
The InChIKey is XLFICBQWFGCANA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-14(2)8-10(15)7-13-11(16)9-4-3-5-12-6-9/h3-6,10,15H,7-8H2,1-2H3,(H,13,16).
What are the key properties of N-[3-(dimethylamino)-2-hydroxypropyl]pyridine-3-carboxamide?
N-[3-(dimethylamino)-2-hydroxypropyl]pyridine-3-carboxamide has a molecular weight of 223.28 g/mol, XLogP of -0.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)-2-hydroxypropyl]pyridine-3-carboxamide is sourced from PubChem (CID 110281404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).