5-chloro-2-[cyclopentyl(3-methylbutyl)amino]pyridine-4-carboxylic acid

C16H23ClN2O2 — CID 114919807

IUPAC5-chloro-2-[cyclopentyl(3-methylbutyl)amino]pyridine-4-carboxylic acid
SMILESCC(C)CCN(c1cc(C(=O)O)c(Cl)cn1)C1CCCC1
InChIInChI=1S/C16H23ClN2O2/c1-11(2)7-8-19(12-5-3-4-6-12)15-9-13(16(20)21)14(17)10-18-15/h9-12H,3-8H2,1-2H3,(H,20,21)
InChIKeyHCSVUVMKXYJAFJ-UHFFFAOYSA-N
MW310.83 g/mol
LogP4.23
Rot. Bonds6

About 5-chloro-2-[cyclopentyl(3-methylbutyl)amino]pyridine-4-carboxylic acid

5-chloro-2-[cyclopentyl(3-methylbutyl)amino]pyridine-4-carboxylic acid (PubChem CID 114919807) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.83 g/mol. Its IUPAC name is 5-chloro-2-[cyclopentyl(3-methylbutyl)amino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name5-chloro-2-[cyclopentyl(3-methylbutyl)amino]pyridine-4-carboxylic acid
PubChem CID114919807
Molecular FormulaC16H23ClN2O2
Molecular Weight310.83 g/mol
Exact Mass310.14
IUPAC Name5-chloro-2-[cyclopentyl(3-methylbutyl)amino]pyridine-4-carboxylic acid
SMILESCC(C)CCN(c1cc(C(=O)O)c(Cl)cn1)C1CCCC1
InChIInChI=1S/C16H23ClN2O2/c1-11(2)7-8-19(12-5-3-4-6-12)15-9-13(16(20)21)14(17)10-18-15/h9-12H,3-8H2,1-2H3,(H,20,21)
InChIKeyHCSVUVMKXYJAFJ-UHFFFAOYSA-N
XLogP4.23
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.83
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-Chloro-2-(cyclopropylamino)pyridine-4-carboxylic acid
CID 114919009
2-Chloro-6-(dimethylamino)isonicotinic acid
CID 21430354
2-Dimethylamino-isonicotinic acid
CID 6484234
2-(4-Methylpiperazin-1-yl)pyridine-4-carboxylic acid
CID 6484238
2-(3-Methylpiperidin-1-yl)pyridine-4-carboxylic acid
CID 6496940
2-(Dimethylamino)pyridine-4-carboxylic acid hydrochloride
CID 54592810
2-Pyrrolidin-1-yl-isonicotinic acid
CID 6484236
2-Chloro-6-(diethylamino)pyridine-4-carboxylic acid
CID 236989
2-(2-Methylpiperidin-1-yl)pyridine-4-carboxylic acid
CID 43176701
2-(3-Methylpyrrolidin-1-yl)pyridine-4-carboxylic acid
CID 61224663
3-Chloro-2-fluoro-6-pyrrolidin-1-ylpyridine-4-carboxylic acid
CID 139405230
3-Chloro-2-fluoro-6-(4-methyl-1,4-diazepan-1-yl)pyridine-4-carboxylic acid
CID 139405293

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[cyclopentyl(3-methylbutyl)amino]pyridine-4-carboxylic acid?
The IUPAC name of 5-chloro-2-[cyclopentyl(3-methylbutyl)amino]pyridine-4-carboxylic acid (CID 114919807) is 5-chloro-2-[cyclopentyl(3-methylbutyl)amino]pyridine-4-carboxylic acid.
What is the SMILES notation for 5-chloro-2-[cyclopentyl(3-methylbutyl)amino]pyridine-4-carboxylic acid?
The canonical SMILES for 5-chloro-2-[cyclopentyl(3-methylbutyl)amino]pyridine-4-carboxylic acid is CC(C)CCN(c1cc(C(=O)O)c(Cl)cn1)C1CCCC1.
What is the InChIKey of 5-chloro-2-[cyclopentyl(3-methylbutyl)amino]pyridine-4-carboxylic acid?
The InChIKey is HCSVUVMKXYJAFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O2/c1-11(2)7-8-19(12-5-3-4-6-12)15-9-13(16(20)21)14(17)10-18-15/h9-12H,3-8H2,1-2H3,(H,20,21).
What are the key properties of 5-chloro-2-[cyclopentyl(3-methylbutyl)amino]pyridine-4-carboxylic acid?
5-chloro-2-[cyclopentyl(3-methylbutyl)amino]pyridine-4-carboxylic acid has a molecular weight of 310.83 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[cyclopentyl(3-methylbutyl)amino]pyridine-4-carboxylic acid is sourced from PubChem (CID 114919807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).