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

C14H20ClN3O2 — CID 83121539

IUPAC3-chloro-6-[[1-(dimethylamino)cyclopentyl]methylamino]pyridine-2-carboxylic acid
SMILESCN(C)C1(CNc2ccc(Cl)c(C(=O)O)n2)CCCC1
InChIInChI=1S/C14H20ClN3O2/c1-18(2)14(7-3-4-8-14)9-16-11-6-5-10(15)12(17-11)13(19)20/h5-6H,3-4,7-9H2,1-2H3,(H,16,17)(H,19,20)
InChIKeyXREKYYUGAKAKNH-UHFFFAOYSA-N
MW297.79 g/mol
LogP2.72
Rot. Bonds5

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

3-chloro-6-[[1-(dimethylamino)cyclopentyl]methylamino]pyridine-2-carboxylic acid (PubChem CID 83121539) has the molecular formula C14H20ClN3O2 and a molecular weight of 297.79 g/mol. Its IUPAC name is 3-chloro-6-[[1-(dimethylamino)cyclopentyl]methylamino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-chloro-6-[[1-(dimethylamino)cyclopentyl]methylamino]pyridine-2-carboxylic acid
PubChem CID83121539
Molecular FormulaC14H20ClN3O2
Molecular Weight297.79 g/mol
Exact Mass297.12
IUPAC Name3-chloro-6-[[1-(dimethylamino)cyclopentyl]methylamino]pyridine-2-carboxylic acid
SMILESCN(C)C1(CNc2ccc(Cl)c(C(=O)O)n2)CCCC1
InChIInChI=1S/C14H20ClN3O2/c1-18(2)14(7-3-4-8-14)9-16-11-6-5-10(15)12(17-11)13(19)20/h5-6H,3-4,7-9H2,1-2H3,(H,16,17)(H,19,20)
InChIKeyXREKYYUGAKAKNH-UHFFFAOYSA-N
XLogP2.72
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[[1-(dimethylamino)cycloheptyl]methylamino]pyridine-2-carboxylic acid
CID 122052738
3-chloro-6-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]pyridine-2-carboxylic acid
CID 105418695
2-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]pyrimidin-4-amine
CID 80703179
5-[[1-(dimethylamino)cyclopentyl]methylamino]pyrazine-2-carboxylic acid
CID 83117218
2-chloro-6-[[1-(dimethylamino)cyclopentyl]methylamino]benzoic acid
CID 83118194
6-N-[[1-(dimethylamino)cyclopentyl]methyl]pyridine-2,3,6-triamine
CID 83116518
6-(2-aminoethylamino)-3-chloropyridine-2-carboxylic acid
CID 61402986
4-[[1-(dimethylamino)cyclopentyl]methylamino]benzoic acid
CID 83121256
6-chloro-2-N-[[1-(dimethylamino)cyclopentyl]methyl]pyridine-2,4-diamine
CID 104923863
6-N-[[1-(dimethylamino)cyclopentyl]methyl]pyridine-2,6-diamine
CID 83117229
3-chloro-6-[(2-methylphenyl)methylamino]pyridine-2-carboxylic acid
CID 54944509
3-chloro-6-(3-methylsulfanylpropylamino)pyridine-2-carboxylic acid
CID 63958515

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[[1-(dimethylamino)cyclopentyl]methylamino]pyridine-2-carboxylic acid?
The IUPAC name of 3-chloro-6-[[1-(dimethylamino)cyclopentyl]methylamino]pyridine-2-carboxylic acid (CID 83121539) is 3-chloro-6-[[1-(dimethylamino)cyclopentyl]methylamino]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-chloro-6-[[1-(dimethylamino)cyclopentyl]methylamino]pyridine-2-carboxylic acid?
The canonical SMILES for 3-chloro-6-[[1-(dimethylamino)cyclopentyl]methylamino]pyridine-2-carboxylic acid is CN(C)C1(CNc2ccc(Cl)c(C(=O)O)n2)CCCC1.
What is the InChIKey of 3-chloro-6-[[1-(dimethylamino)cyclopentyl]methylamino]pyridine-2-carboxylic acid?
The InChIKey is XREKYYUGAKAKNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O2/c1-18(2)14(7-3-4-8-14)9-16-11-6-5-10(15)12(17-11)13(19)20/h5-6H,3-4,7-9H2,1-2H3,(H,16,17)(H,19,20).
What are the key properties of 3-chloro-6-[[1-(dimethylamino)cyclopentyl]methylamino]pyridine-2-carboxylic acid?
3-chloro-6-[[1-(dimethylamino)cyclopentyl]methylamino]pyridine-2-carboxylic acid has a molecular weight of 297.79 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[[1-(dimethylamino)cyclopentyl]methylamino]pyridine-2-carboxylic acid is sourced from PubChem (CID 83121539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).