2-(dimethylamino)-N-(4-hydroxy-1-methoxybutan-2-yl)pyridine-4-carboxamide

C13H21N3O3 — CID 103799343

IUPAC2-(dimethylamino)-N-(4-hydroxy-1-methoxybutan-2-yl)pyridine-4-carboxamide
SMILESCOCC(CCO)NC(=O)c1ccnc(N(C)C)c1
InChIInChI=1S/C13H21N3O3/c1-16(2)12-8-10(4-6-14-12)13(18)15-11(5-7-17)9-19-3/h4,6,8,11,17H,5,7,9H2,1-3H3,(H,15,18)
InChIKeyJUHLMOPCZNKQJJ-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.27
Rot. Bonds7

About 2-(dimethylamino)-N-(4-hydroxy-1-methoxybutan-2-yl)pyridine-4-carboxamide

2-(dimethylamino)-N-(4-hydroxy-1-methoxybutan-2-yl)pyridine-4-carboxamide (PubChem CID 103799343) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-(dimethylamino)-N-(4-hydroxy-1-methoxybutan-2-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-(4-hydroxy-1-methoxybutan-2-yl)pyridine-4-carboxamide
PubChem CID103799343
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name2-(dimethylamino)-N-(4-hydroxy-1-methoxybutan-2-yl)pyridine-4-carboxamide
SMILESCOCC(CCO)NC(=O)c1ccnc(N(C)C)c1
InChIInChI=1S/C13H21N3O3/c1-16(2)12-8-10(4-6-14-12)13(18)15-11(5-7-17)9-19-3/h4,6,8,11,17H,5,7,9H2,1-3H3,(H,15,18)
InChIKeyJUHLMOPCZNKQJJ-UHFFFAOYSA-N
XLogP0.27
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-(dimethylamino)pyridine-4-carbonyl]amino]-3-methoxypropanoic acid
CID 81076482
2-[[2-(dimethylamino)pyridine-4-carbonyl]amino]-4-methoxybutanoic acid
CID 62480013
N-(4-hydroxy-1-methoxybutan-2-yl)pyridine-4-carboxamide
CID 103799473
2-[[2-(dimethylamino)pyridine-4-carbonyl]amino]-3-hydroxypropanoic acid
CID 43171682
3-chloro-N-(4-hydroxy-1-methoxybutan-2-yl)-4-iodobenzamide
CID 103851083
4-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)-3-methoxybenzamide
CID 103850770
N-(4-hydroxy-1-methoxybutan-2-yl)-6-methylpyridine-3-carboxamide
CID 103799620
3-hydroxy-N-(4-hydroxy-1-methoxybutan-2-yl)-4-iodobenzamide
CID 113434933
3-ethoxy-N-(4-hydroxy-1-methoxybutan-2-yl)-4-methoxybenzamide
CID 103850888
(2S)-2-[[2-(dimethylamino)pyridine-4-carbonyl]amino]pentanoic acid
CID 93252378
3-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)-4-methylbenzamide
CID 113264488
N-(4-hydroxy-1-methoxybutan-2-yl)pyrimidine-5-carboxamide
CID 104629797

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-(4-hydroxy-1-methoxybutan-2-yl)pyridine-4-carboxamide?
The IUPAC name of 2-(dimethylamino)-N-(4-hydroxy-1-methoxybutan-2-yl)pyridine-4-carboxamide (CID 103799343) is 2-(dimethylamino)-N-(4-hydroxy-1-methoxybutan-2-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(dimethylamino)-N-(4-hydroxy-1-methoxybutan-2-yl)pyridine-4-carboxamide?
The canonical SMILES for 2-(dimethylamino)-N-(4-hydroxy-1-methoxybutan-2-yl)pyridine-4-carboxamide is COCC(CCO)NC(=O)c1ccnc(N(C)C)c1.
What is the InChIKey of 2-(dimethylamino)-N-(4-hydroxy-1-methoxybutan-2-yl)pyridine-4-carboxamide?
The InChIKey is JUHLMOPCZNKQJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-16(2)12-8-10(4-6-14-12)13(18)15-11(5-7-17)9-19-3/h4,6,8,11,17H,5,7,9H2,1-3H3,(H,15,18).
What are the key properties of 2-(dimethylamino)-N-(4-hydroxy-1-methoxybutan-2-yl)pyridine-4-carboxamide?
2-(dimethylamino)-N-(4-hydroxy-1-methoxybutan-2-yl)pyridine-4-carboxamide has a molecular weight of 267.33 g/mol, XLogP of 0.27, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-(4-hydroxy-1-methoxybutan-2-yl)pyridine-4-carboxamide is sourced from PubChem (CID 103799343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).