2-amino-5-[(3-ethyl-2-methylcyclopentyl)amino]pyridine-4-carboxylic acid

C14H21N3O2 — CID 114195184

IUPAC2-amino-5-[(3-ethyl-2-methylcyclopentyl)amino]pyridine-4-carboxylic acid
SMILESCCC1CCC(Nc2cnc(N)cc2C(=O)O)C1C
InChIInChI=1S/C14H21N3O2/c1-3-9-4-5-11(8(9)2)17-12-7-16-13(15)6-10(12)14(18)19/h6-9,11,17H,3-5H2,1-2H3,(H2,15,16)(H,18,19)
InChIKeyKMZAJFQMPIIXQQ-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.60
Rot. Bonds4

About 2-amino-5-[(3-ethyl-2-methylcyclopentyl)amino]pyridine-4-carboxylic acid

2-amino-5-[(3-ethyl-2-methylcyclopentyl)amino]pyridine-4-carboxylic acid (PubChem CID 114195184) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-amino-5-[(3-ethyl-2-methylcyclopentyl)amino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-amino-5-[(3-ethyl-2-methylcyclopentyl)amino]pyridine-4-carboxylic acid
PubChem CID114195184
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name2-amino-5-[(3-ethyl-2-methylcyclopentyl)amino]pyridine-4-carboxylic acid
SMILESCCC1CCC(Nc2cnc(N)cc2C(=O)O)C1C
InChIInChI=1S/C14H21N3O2/c1-3-9-4-5-11(8(9)2)17-12-7-16-13(15)6-10(12)14(18)19/h6-9,11,17H,3-5H2,1-2H3,(H2,15,16)(H,18,19)
InChIKeyKMZAJFQMPIIXQQ-UHFFFAOYSA-N
XLogP2.60
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(Benzylamino)pyridine-4-carboxylic acid
CID 71767874
3-(Methylamino)pyridine-4-carboxylic acid
CID 81750543
3-(4-Phenylbutylamino)pyridine-4-carboxylic acid
CID 71765996
3-(Cyclohexylmethylamino)pyridine-4-carboxylic acid
CID 71766431
3-(Propylamino)pyridine-4-carboxylic acid
CID 81750118
3-(Butylamino)pyridine-4-carboxylic acid
CID 81751142
5,6-Diaminonicotinic acid
CID 22476298
3-(3-Phenylpropylamino)pyridine-4-carboxylic acid
CID 71765680
3-(2-Methylpropylamino)pyridine-4-carboxylic acid
CID 81750365
3-(1-Phenylethylamino)pyridine-4-carboxylic acid
CID 81750712
3-(Cyclopentylmethylamino)pyridine-4-carboxylic acid
CID 81750970
3-(2-Phenylethylamino)pyridine-4-carboxylic acid
CID 71767872

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[(3-ethyl-2-methylcyclopentyl)amino]pyridine-4-carboxylic acid?
The IUPAC name of 2-amino-5-[(3-ethyl-2-methylcyclopentyl)amino]pyridine-4-carboxylic acid (CID 114195184) is 2-amino-5-[(3-ethyl-2-methylcyclopentyl)amino]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-amino-5-[(3-ethyl-2-methylcyclopentyl)amino]pyridine-4-carboxylic acid?
The canonical SMILES for 2-amino-5-[(3-ethyl-2-methylcyclopentyl)amino]pyridine-4-carboxylic acid is CCC1CCC(Nc2cnc(N)cc2C(=O)O)C1C.
What is the InChIKey of 2-amino-5-[(3-ethyl-2-methylcyclopentyl)amino]pyridine-4-carboxylic acid?
The InChIKey is KMZAJFQMPIIXQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-3-9-4-5-11(8(9)2)17-12-7-16-13(15)6-10(12)14(18)19/h6-9,11,17H,3-5H2,1-2H3,(H2,15,16)(H,18,19).
What are the key properties of 2-amino-5-[(3-ethyl-2-methylcyclopentyl)amino]pyridine-4-carboxylic acid?
2-amino-5-[(3-ethyl-2-methylcyclopentyl)amino]pyridine-4-carboxylic acid has a molecular weight of 263.34 g/mol, XLogP of 2.60, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[(3-ethyl-2-methylcyclopentyl)amino]pyridine-4-carboxylic acid is sourced from PubChem (CID 114195184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).