4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-6-methylpyridine-3-carboxylic acid

C14H21N3O3 — CID 81244600

IUPAC4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-6-methylpyridine-3-carboxylic acid
SMILESCc1cc(N2CC(O)CC2CN(C)C)c(C(=O)O)cn1
InChIInChI=1S/C14H21N3O3/c1-9-4-13(12(6-15-9)14(19)20)17-8-11(18)5-10(17)7-16(2)3/h4,6,10-11,18H,5,7-8H2,1-3H3,(H,19,20)
InChIKeyAZDFRAYANWKOLX-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.59
Rot. Bonds4

About 4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-6-methylpyridine-3-carboxylic acid

4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-6-methylpyridine-3-carboxylic acid (PubChem CID 81244600) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-6-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-6-methylpyridine-3-carboxylic acid
PubChem CID81244600
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-6-methylpyridine-3-carboxylic acid
SMILESCc1cc(N2CC(O)CC2CN(C)C)c(C(=O)O)cn1
InChIInChI=1S/C14H21N3O3/c1-9-4-13(12(6-15-9)14(19)20)17-8-11(18)5-10(17)7-16(2)3/h4,6,10-11,18H,5,7-8H2,1-3H3,(H,19,20)
InChIKeyAZDFRAYANWKOLX-UHFFFAOYSA-N
XLogP0.59
TPSA76.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-Methylnicotinic acid
CID 137860
6-Hydroxymethyl-nicotinic acid methyl ester
CID 789414
6-(2-(Pyrrolidin-1-yl)ethyl)nicotinic acid
CID 2737255
4,6-Dimethylnicotinic acid
CID 817290
6-(Hydroxymethyl)pyridine-3-carboxylic acid
CID 14722130
Nicotinic acid, compd. with 2-(dimethylamino)ethanol
CID 40390
6-Ethenylpyridine-3-carboxylic acid
CID 17789889
5,6-Dimethylnicotinic acid
CID 17914061
Tert-butyl 6-(hydroxymethyl)pyridine-3-carboxylate
CID 21287980
6-Dimethylaminocarbonyl nicotinic acid
CID 21696861
6-((Dimethylamino)methyl)-3-pyridinecarboxylic acid
CID 57573745
6-({[(Tert-butoxy)carbonyl](methyl)amino}methyl)pyridine-3-carboxylic acid
CID 59332901

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-6-methylpyridine-3-carboxylic acid?
The IUPAC name of 4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-6-methylpyridine-3-carboxylic acid (CID 81244600) is 4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-6-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-6-methylpyridine-3-carboxylic acid?
The canonical SMILES for 4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-6-methylpyridine-3-carboxylic acid is Cc1cc(N2CC(O)CC2CN(C)C)c(C(=O)O)cn1.
What is the InChIKey of 4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-6-methylpyridine-3-carboxylic acid?
The InChIKey is AZDFRAYANWKOLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-9-4-13(12(6-15-9)14(19)20)17-8-11(18)5-10(17)7-16(2)3/h4,6,10-11,18H,5,7-8H2,1-3H3,(H,19,20).
What are the key properties of 4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-6-methylpyridine-3-carboxylic acid?
4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-6-methylpyridine-3-carboxylic acid has a molecular weight of 279.34 g/mol, XLogP of 0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-6-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 81244600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).