1-(5-hydroxypyridine-3-carbonyl)-N,N-dimethylpyrrolidine-2-carboxamide

C13H17N3O3 — CID 63859028

IUPAC1-(5-hydroxypyridine-3-carbonyl)-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCN(C)C(=O)C1CCCN1C(=O)c1cncc(O)c1
InChIInChI=1S/C13H17N3O3/c1-15(2)13(19)11-4-3-5-16(11)12(18)9-6-10(17)8-14-7-9/h6-8,11,17H,3-5H2,1-2H3
InChIKeyNTIRWORWCBTAOS-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.48
Rot. Bonds2

About 1-(5-hydroxypyridine-3-carbonyl)-N,N-dimethylpyrrolidine-2-carboxamide

1-(5-hydroxypyridine-3-carbonyl)-N,N-dimethylpyrrolidine-2-carboxamide (PubChem CID 63859028) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 1-(5-hydroxypyridine-3-carbonyl)-N,N-dimethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(5-hydroxypyridine-3-carbonyl)-N,N-dimethylpyrrolidine-2-carboxamide
PubChem CID63859028
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name1-(5-hydroxypyridine-3-carbonyl)-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCN(C)C(=O)C1CCCN1C(=O)c1cncc(O)c1
InChIInChI=1S/C13H17N3O3/c1-15(2)13(19)11-4-3-5-16(11)12(18)9-6-10(17)8-14-7-9/h6-8,11,17H,3-5H2,1-2H3
InChIKeyNTIRWORWCBTAOS-UHFFFAOYSA-N
XLogP0.48
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-hydroxypyridine-3-carbonyl)pyrrolidine-2-carboxylic acid;hydrochloride
CID 45074740
1-(2,6-dichloropyridine-4-carbonyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 60717068
[2-(aminomethyl)pyrrolidin-1-yl]-(5-hydroxy-3-pyridinyl)methanone
CID 115312082
N,N-dimethyl-1-(thiophene-3-carbonyl)pyrrolidine-2-carboxamide
CID 134026773
1-(5-iodothiophene-3-carbonyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 78949483
1-(4-chloro-5-fluoropyridine-3-carbonyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 126840807
[2-(5-amino-1-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-(5-hydroxy-3-pyridinyl)methanone
CID 138003446
1-(4,5-dihydroxy-2-methylbenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 167765690
2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(5-hydroxy-3-pyridinyl)methanone
CID 78954237
1-(3-amino-4-fluorobenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 43575377
5-hydroxy-N-[[1-(5-hydroxypyridine-3-carbonyl)azetidin-2-yl]methyl]-N-methylpyridine-3-carboxamide
CID 167743733
1-(4-bromo-3-chlorobenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 80979299

Frequently Asked Questions

What is the IUPAC name of 1-(5-hydroxypyridine-3-carbonyl)-N,N-dimethylpyrrolidine-2-carboxamide?
The IUPAC name of 1-(5-hydroxypyridine-3-carbonyl)-N,N-dimethylpyrrolidine-2-carboxamide (CID 63859028) is 1-(5-hydroxypyridine-3-carbonyl)-N,N-dimethylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(5-hydroxypyridine-3-carbonyl)-N,N-dimethylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-(5-hydroxypyridine-3-carbonyl)-N,N-dimethylpyrrolidine-2-carboxamide is CN(C)C(=O)C1CCCN1C(=O)c1cncc(O)c1.
What is the InChIKey of 1-(5-hydroxypyridine-3-carbonyl)-N,N-dimethylpyrrolidine-2-carboxamide?
The InChIKey is NTIRWORWCBTAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-15(2)13(19)11-4-3-5-16(11)12(18)9-6-10(17)8-14-7-9/h6-8,11,17H,3-5H2,1-2H3.
What are the key properties of 1-(5-hydroxypyridine-3-carbonyl)-N,N-dimethylpyrrolidine-2-carboxamide?
1-(5-hydroxypyridine-3-carbonyl)-N,N-dimethylpyrrolidine-2-carboxamide has a molecular weight of 263.30 g/mol, XLogP of 0.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-hydroxypyridine-3-carbonyl)-N,N-dimethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 63859028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).