5-chloro-2-[2-(3-methylcyclohexyl)ethylamino]pyridine-4-carboxylic acid

C15H21ClN2O2 — CID 114919693

IUPAC5-chloro-2-[2-(3-methylcyclohexyl)ethylamino]pyridine-4-carboxylic acid
SMILESCC1CCCC(CCNc2cc(C(=O)O)c(Cl)cn2)C1
InChIInChI=1S/C15H21ClN2O2/c1-10-3-2-4-11(7-10)5-6-17-14-8-12(15(19)20)13(16)9-18-14/h8-11H,2-7H2,1H3,(H,17,18)(H,19,20)
InChIKeyIHTOIBOPVSAMTI-UHFFFAOYSA-N
MW296.80 g/mol
LogP4.06
Rot. Bonds5

About 5-chloro-2-[2-(3-methylcyclohexyl)ethylamino]pyridine-4-carboxylic acid

5-chloro-2-[2-(3-methylcyclohexyl)ethylamino]pyridine-4-carboxylic acid (PubChem CID 114919693) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 5-chloro-2-[2-(3-methylcyclohexyl)ethylamino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name5-chloro-2-[2-(3-methylcyclohexyl)ethylamino]pyridine-4-carboxylic acid
PubChem CID114919693
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name5-chloro-2-[2-(3-methylcyclohexyl)ethylamino]pyridine-4-carboxylic acid
SMILESCC1CCCC(CCNc2cc(C(=O)O)c(Cl)cn2)C1
InChIInChI=1S/C15H21ClN2O2/c1-10-3-2-4-11(7-10)5-6-17-14-8-12(15(19)20)13(16)9-18-14/h8-11H,2-7H2,1H3,(H,17,18)(H,19,20)
InChIKeyIHTOIBOPVSAMTI-UHFFFAOYSA-N
XLogP4.06
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dichloro-N-[2-(3-methylcyclohexyl)ethyl]pyridine-4-carboxamide
CID 114918549
4-methyl-2-[2-(3-methylcyclohexyl)ethylamino]pyrimidine-5-carboxylic acid
CID 83181984
5-chloro-2-[(3-methylcyclopentyl)amino]pyridine-4-carboxylic acid
CID 114920054
3-fluoro-2-[2-(3-methylcyclohexyl)ethylamino]pyridine-4-carboxylic acid
CID 105382378
5-chloro-2-(3-methylcyclohexyl)sulfanylpyridine-4-carboxylic acid
CID 114920127
5-chloro-2-[(2-methylcyclopentyl)amino]pyridine-4-carboxylic acid
CID 114919638
5-chloro-2-[2-(1-methylimidazol-2-yl)ethylamino]pyridine-4-carboxylic acid
CID 114919507
5-chloro-N-(2-cyclobutylethyl)-2-(methylamino)pyridine-4-carboxamide
CID 114924528
5-chloro-2-(2-cyclopropylpropylamino)pyridine-4-carboxylic acid
CID 114919974
2-bromo-3-fluoro-4-[2-(3-methylcyclohexyl)ethylamino]benzoic acid
CID 107540332
[5-chloro-2-(propylamino)-4-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone
CID 114921944
5-chloro-2-(5-hydroxypentylamino)pyridine-4-carboxylic acid
CID 107317996

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[2-(3-methylcyclohexyl)ethylamino]pyridine-4-carboxylic acid?
The IUPAC name of 5-chloro-2-[2-(3-methylcyclohexyl)ethylamino]pyridine-4-carboxylic acid (CID 114919693) is 5-chloro-2-[2-(3-methylcyclohexyl)ethylamino]pyridine-4-carboxylic acid.
What is the SMILES notation for 5-chloro-2-[2-(3-methylcyclohexyl)ethylamino]pyridine-4-carboxylic acid?
The canonical SMILES for 5-chloro-2-[2-(3-methylcyclohexyl)ethylamino]pyridine-4-carboxylic acid is CC1CCCC(CCNc2cc(C(=O)O)c(Cl)cn2)C1.
What is the InChIKey of 5-chloro-2-[2-(3-methylcyclohexyl)ethylamino]pyridine-4-carboxylic acid?
The InChIKey is IHTOIBOPVSAMTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-10-3-2-4-11(7-10)5-6-17-14-8-12(15(19)20)13(16)9-18-14/h8-11H,2-7H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 5-chloro-2-[2-(3-methylcyclohexyl)ethylamino]pyridine-4-carboxylic acid?
5-chloro-2-[2-(3-methylcyclohexyl)ethylamino]pyridine-4-carboxylic acid has a molecular weight of 296.80 g/mol, XLogP of 4.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[2-(3-methylcyclohexyl)ethylamino]pyridine-4-carboxylic acid is sourced from PubChem (CID 114919693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).