2-(cycloheptylamino)pyridine-3-carboxylic acid

C13H18N2O2 — CID 43236673

IUPAC2-(cycloheptylamino)pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1NC1CCCCCC1
InChIInChI=1S/C13H18N2O2/c16-13(17)11-8-5-9-14-12(11)15-10-6-3-1-2-4-7-10/h5,8-10H,1-4,6-7H2,(H,14,15)(H,16,17)
InChIKeyZSRKBVOUYWZINP-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.91
Rot. Bonds3

About 2-(cycloheptylamino)pyridine-3-carboxylic acid

2-(cycloheptylamino)pyridine-3-carboxylic acid (PubChem CID 43236673) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-(cycloheptylamino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(cycloheptylamino)pyridine-3-carboxylic acid
PubChem CID43236673
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name2-(cycloheptylamino)pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1NC1CCCCCC1
InChIInChI=1S/C13H18N2O2/c16-13(17)11-8-5-9-14-12(11)15-10-6-3-1-2-4-7-10/h5,8-10H,1-4,6-7H2,(H,14,15)(H,16,17)
InChIKeyZSRKBVOUYWZINP-UHFFFAOYSA-N
XLogP2.91
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4,4-difluorocyclohexyl)amino]pyridine-3-carboxylic acid
CID 90093326
2-[(3-methylcyclohexyl)amino]pyridine-3-carboxylic acid
CID 43317156
2-[(1-methylazetidin-3-yl)amino]pyridine-3-carboxylic acid
CID 131019802
methyl 2-(cyclopropylamino)pyridine-3-carboxylate
CID 60722666
2-(cyclobutanecarbonylamino)pyridine-3-carboxylic acid
CID 63654626
2-(cyclopropylamino)-N-propan-2-ylpyridine-3-carboxamide
CID 84574880
2-[[2-(hydroxymethyl)cyclopentyl]amino]pyridine-3-carboxylic acid
CID 106361785
2-[(5,5-dioxo-5λ6-thiaspiro[3.5]nonan-8-yl)amino]pyridine-3-carboxylic acid
CID 166258142
2-(2-cyclopentylethylamino)pyridine-3-carboxylic acid
CID 60731921
2-[(2,2-diethyloxan-4-yl)amino]pyridine-3-carboxylic acid
CID 83029239
2-(piperidine-1-carbonylamino)pyridine-3-carboxylic acid
CID 79155083
2-(cyclopropylamino)-N-methyl-N-phenylpyridine-3-carboxamide
CID 84573642

Frequently Asked Questions

What is the IUPAC name of 2-(cycloheptylamino)pyridine-3-carboxylic acid?
The IUPAC name of 2-(cycloheptylamino)pyridine-3-carboxylic acid (CID 43236673) is 2-(cycloheptylamino)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(cycloheptylamino)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(cycloheptylamino)pyridine-3-carboxylic acid is O=C(O)c1cccnc1NC1CCCCCC1.
What is the InChIKey of 2-(cycloheptylamino)pyridine-3-carboxylic acid?
The InChIKey is ZSRKBVOUYWZINP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c16-13(17)11-8-5-9-14-12(11)15-10-6-3-1-2-4-7-10/h5,8-10H,1-4,6-7H2,(H,14,15)(H,16,17).
What are the key properties of 2-(cycloheptylamino)pyridine-3-carboxylic acid?
2-(cycloheptylamino)pyridine-3-carboxylic acid has a molecular weight of 234.30 g/mol, XLogP of 2.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cycloheptylamino)pyridine-3-carboxylic acid is sourced from PubChem (CID 43236673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).