5-chloro-6-[(4-methylcycloheptyl)amino]pyridine-3-carboxylic acid

C14H19ClN2O2 — CID 114100429

IUPAC5-chloro-6-[(4-methylcycloheptyl)amino]pyridine-3-carboxylic acid
SMILESCC1CCCC(Nc2ncc(C(=O)O)cc2Cl)CC1
InChIInChI=1S/C14H19ClN2O2/c1-9-3-2-4-11(6-5-9)17-13-12(15)7-10(8-16-13)14(18)19/h7-9,11H,2-6H2,1H3,(H,16,17)(H,18,19)
InChIKeyIUUOSHCBKROMGB-UHFFFAOYSA-N
MW282.77 g/mol
LogP3.81
Rot. Bonds3

About 5-chloro-6-[(4-methylcycloheptyl)amino]pyridine-3-carboxylic acid

5-chloro-6-[(4-methylcycloheptyl)amino]pyridine-3-carboxylic acid (PubChem CID 114100429) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 5-chloro-6-[(4-methylcycloheptyl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-chloro-6-[(4-methylcycloheptyl)amino]pyridine-3-carboxylic acid
PubChem CID114100429
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name5-chloro-6-[(4-methylcycloheptyl)amino]pyridine-3-carboxylic acid
SMILESCC1CCCC(Nc2ncc(C(=O)O)cc2Cl)CC1
InChIInChI=1S/C14H19ClN2O2/c1-9-3-2-4-11(6-5-9)17-13-12(15)7-10(8-16-13)14(18)19/h7-9,11H,2-6H2,1H3,(H,16,17)(H,18,19)
InChIKeyIUUOSHCBKROMGB-UHFFFAOYSA-N
XLogP3.81
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[5-chloro-6-(cyclopentylamino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 133270710
5-chloro-6-(methylamino)-N-(4-methylcyclohexyl)pyridine-3-carboxamide
CID 55042305
4-[[3-chloro-5-(dimethylcarbamoyl)-2-pyridinyl]amino]cyclohexane-1-carboxylic acid
CID 122060149
5-chloro-6-[(2,2-diethyloxan-4-yl)amino]pyridine-3-carboxylic acid
CID 83036892
2-chloro-4-[(4-methylcycloheptyl)amino]benzoic acid
CID 114101995
5-amino-6-(cyclooctylamino)pyridine-3-carboxylic acid
CID 81438891
ethyl 6-[(4-tert-butylcyclohexyl)amino]-5-chloropyridine-3-carboxylate
CID 68966974
(5-chloro-6-hydrazinyl-3-pyridinyl)-(4-methylazepan-1-yl)methanone
CID 55247680
5-chloro-6-cyclopentyloxypyridine-3-carboxylic acid
CID 16796007
3-amino-4-[(4-methylcycloheptyl)amino]benzoic acid
CID 114101708
5-chloro-6-[[(3S)-1-methylsulfonylpiperidin-3-yl]amino]pyridine-3-carboxamide
CID 95140836
5-chloro-6-[[(3S,4S)-4-methoxy-1-methylpyrrolidin-3-yl]amino]pyridine-3-carboxylic acid
CID 131917976

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[(4-methylcycloheptyl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 5-chloro-6-[(4-methylcycloheptyl)amino]pyridine-3-carboxylic acid (CID 114100429) is 5-chloro-6-[(4-methylcycloheptyl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-chloro-6-[(4-methylcycloheptyl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-chloro-6-[(4-methylcycloheptyl)amino]pyridine-3-carboxylic acid is CC1CCCC(Nc2ncc(C(=O)O)cc2Cl)CC1.
What is the InChIKey of 5-chloro-6-[(4-methylcycloheptyl)amino]pyridine-3-carboxylic acid?
The InChIKey is IUUOSHCBKROMGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-9-3-2-4-11(6-5-9)17-13-12(15)7-10(8-16-13)14(18)19/h7-9,11H,2-6H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 5-chloro-6-[(4-methylcycloheptyl)amino]pyridine-3-carboxylic acid?
5-chloro-6-[(4-methylcycloheptyl)amino]pyridine-3-carboxylic acid has a molecular weight of 282.77 g/mol, XLogP of 3.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[(4-methylcycloheptyl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 114100429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).