3-chloro-6-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]pyridine-2-carboxylic acid

C14H20ClN3O2 — CID 105418695

IUPAC3-chloro-6-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]pyridine-2-carboxylic acid
SMILESCN(CC1(N(C)C)CCC1)c1ccc(Cl)c(C(=O)O)n1
InChIInChI=1S/C14H20ClN3O2/c1-17(2)14(7-4-8-14)9-18(3)11-6-5-10(15)12(16-11)13(19)20/h5-6H,4,7-9H2,1-3H3,(H,19,20)
InChIKeySNAHOFKKSXXKIJ-UHFFFAOYSA-N
MW297.79 g/mol
LogP2.35
Rot. Bonds5

About 3-chloro-6-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]pyridine-2-carboxylic acid

3-chloro-6-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]pyridine-2-carboxylic acid (PubChem CID 105418695) has the molecular formula C14H20ClN3O2 and a molecular weight of 297.79 g/mol. Its IUPAC name is 3-chloro-6-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-chloro-6-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]pyridine-2-carboxylic acid
PubChem CID105418695
Molecular FormulaC14H20ClN3O2
Molecular Weight297.79 g/mol
Exact Mass297.12
IUPAC Name3-chloro-6-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]pyridine-2-carboxylic acid
SMILESCN(CC1(N(C)C)CCC1)c1ccc(Cl)c(C(=O)O)n1
InChIInChI=1S/C14H20ClN3O2/c1-17(2)14(7-4-8-14)9-18(3)11-6-5-10(15)12(16-11)13(19)20/h5-6H,4,7-9H2,1-3H3,(H,19,20)
InChIKeySNAHOFKKSXXKIJ-UHFFFAOYSA-N
XLogP2.35
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-6-[[1-(dimethylamino)cyclopentyl]methylamino]pyridine-2-carboxylic acid
CID 83121539
3-chloro-6-[[2-(diethylamino)-2-oxoethyl]-methylamino]pyridine-2-carboxylic acid
CID 61452600
3-chloro-6-[(5-chlorothiophen-2-yl)methyl-methylamino]pyridine-2-carboxylic acid
CID 61439995
3-chloro-6-[methyl(oxan-3-ylmethyl)amino]pyridine-2-carboxylic acid
CID 63707725
3-chloro-6-[methyl(pentan-3-yl)amino]pyridine-2-carboxylic acid
CID 43571486
3-chloro-6-[methyl(2-methylbutan-2-yl)amino]pyridine-2-carboxylic acid
CID 63958296
5-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]pyridine-2-carboxylic acid
CID 105418652
3,5,6-trichloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylpyridin-2-amine
CID 102752109
3-chloro-6-[ethyl(2-hydroxyethyl)amino]pyridine-2-carboxylic acid
CID 60980382
5-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]thiophene-2-carboxylic acid
CID 105415367
4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3-methylbenzoic acid
CID 105415380
N-[[1-(dimethylamino)cyclobutyl]methyl]-6-hydrazinyl-N-methylpyridin-2-amine
CID 105421047

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]pyridine-2-carboxylic acid?
The IUPAC name of 3-chloro-6-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]pyridine-2-carboxylic acid (CID 105418695) is 3-chloro-6-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-chloro-6-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]pyridine-2-carboxylic acid?
The canonical SMILES for 3-chloro-6-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]pyridine-2-carboxylic acid is CN(CC1(N(C)C)CCC1)c1ccc(Cl)c(C(=O)O)n1.
What is the InChIKey of 3-chloro-6-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]pyridine-2-carboxylic acid?
The InChIKey is SNAHOFKKSXXKIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O2/c1-17(2)14(7-4-8-14)9-18(3)11-6-5-10(15)12(16-11)13(19)20/h5-6H,4,7-9H2,1-3H3,(H,19,20).
What are the key properties of 3-chloro-6-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]pyridine-2-carboxylic acid?
3-chloro-6-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]pyridine-2-carboxylic acid has a molecular weight of 297.79 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]pyridine-2-carboxylic acid is sourced from PubChem (CID 105418695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).