3-chloro-2-[(2-propan-2-ylcyclohexyl)amino]pyridine-4-carboxylic acid

C15H21ClN2O2 — CID 107062908

IUPAC3-chloro-2-[(2-propan-2-ylcyclohexyl)amino]pyridine-4-carboxylic acid
SMILESCC(C)C1CCCCC1Nc1nccc(C(=O)O)c1Cl
InChIInChI=1S/C15H21ClN2O2/c1-9(2)10-5-3-4-6-12(10)18-14-13(16)11(15(19)20)7-8-17-14/h7-10,12H,3-6H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyXYTABNSPTZQQJV-UHFFFAOYSA-N
MW296.80 g/mol
LogP4.06
Rot. Bonds4

About 3-chloro-2-[(2-propan-2-ylcyclohexyl)amino]pyridine-4-carboxylic acid

3-chloro-2-[(2-propan-2-ylcyclohexyl)amino]pyridine-4-carboxylic acid (PubChem CID 107062908) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 3-chloro-2-[(2-propan-2-ylcyclohexyl)amino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-chloro-2-[(2-propan-2-ylcyclohexyl)amino]pyridine-4-carboxylic acid
PubChem CID107062908
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name3-chloro-2-[(2-propan-2-ylcyclohexyl)amino]pyridine-4-carboxylic acid
SMILESCC(C)C1CCCCC1Nc1nccc(C(=O)O)c1Cl
InChIInChI=1S/C15H21ClN2O2/c1-9(2)10-5-3-4-6-12(10)18-14-13(16)11(15(19)20)7-8-17-14/h7-10,12H,3-6H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyXYTABNSPTZQQJV-UHFFFAOYSA-N
XLogP4.06
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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

3-chloro-2-[(1-methylpyrrolidin-3-yl)amino]pyridine-4-carboxylic acid
CID 107062071
3-chloro-2-(thiolan-3-ylamino)pyridine-4-carboxylic acid
CID 107063139
2-amino-4-[(2-propan-2-ylcyclohexyl)amino]benzoic acid
CID 104500830
3-chloro-2-(3-hydroxybutylamino)pyridine-4-carboxylic acid
CID 107062727
3-chloro-2-[1-(dimethylamino)propan-2-ylamino]pyridine-4-carboxylic acid
CID 107062922
3-[(2-methylcyclohexyl)amino]pyridazine-4-carboxylic acid
CID 80517843
3-chloro-2-(oxolan-2-ylmethylamino)pyridine-4-carboxylic acid
CID 107061826
3-chloro-2-(3-cyclopropylpropylamino)pyridine-4-carboxylic acid
CID 107063076
3-chloro-2-(4-methoxybutan-2-ylamino)pyridine-4-carboxylic acid
CID 107062716
3-chloro-2-(4,4,4-trifluorobutan-2-ylamino)pyridine-4-carboxylic acid
CID 114131874
3-fluoro-2-[(2-methyloxolan-3-yl)amino]pyridine-4-carboxylic acid
CID 105382560
3-chloro-2-[1-(2-methylphenyl)ethylamino]pyridine-4-carboxylic acid
CID 107062092

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[(2-propan-2-ylcyclohexyl)amino]pyridine-4-carboxylic acid?
The IUPAC name of 3-chloro-2-[(2-propan-2-ylcyclohexyl)amino]pyridine-4-carboxylic acid (CID 107062908) is 3-chloro-2-[(2-propan-2-ylcyclohexyl)amino]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-chloro-2-[(2-propan-2-ylcyclohexyl)amino]pyridine-4-carboxylic acid?
The canonical SMILES for 3-chloro-2-[(2-propan-2-ylcyclohexyl)amino]pyridine-4-carboxylic acid is CC(C)C1CCCCC1Nc1nccc(C(=O)O)c1Cl.
What is the InChIKey of 3-chloro-2-[(2-propan-2-ylcyclohexyl)amino]pyridine-4-carboxylic acid?
The InChIKey is XYTABNSPTZQQJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-9(2)10-5-3-4-6-12(10)18-14-13(16)11(15(19)20)7-8-17-14/h7-10,12H,3-6H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 3-chloro-2-[(2-propan-2-ylcyclohexyl)amino]pyridine-4-carboxylic acid?
3-chloro-2-[(2-propan-2-ylcyclohexyl)amino]pyridine-4-carboxylic acid has a molecular weight of 296.80 g/mol, XLogP of 4.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[(2-propan-2-ylcyclohexyl)amino]pyridine-4-carboxylic acid is sourced from PubChem (CID 107062908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).