6-[cycloheptyl(methyl)amino]-5-methylpyridine-3-carboxylic acid

C15H22N2O2 — CID 80631026

IUPAC6-[cycloheptyl(methyl)amino]-5-methylpyridine-3-carboxylic acid
SMILESCc1cc(C(=O)O)cnc1N(C)C1CCCCCC1
InChIInChI=1S/C15H22N2O2/c1-11-9-12(15(18)19)10-16-14(11)17(2)13-7-5-3-4-6-8-13/h9-10,13H,3-8H2,1-2H3,(H,18,19)
InChIKeyXIKLZAAVZYNXQE-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.25
Rot. Bonds3

About 6-[cycloheptyl(methyl)amino]-5-methylpyridine-3-carboxylic acid

6-[cycloheptyl(methyl)amino]-5-methylpyridine-3-carboxylic acid (PubChem CID 80631026) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 6-[cycloheptyl(methyl)amino]-5-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[cycloheptyl(methyl)amino]-5-methylpyridine-3-carboxylic acid
PubChem CID80631026
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name6-[cycloheptyl(methyl)amino]-5-methylpyridine-3-carboxylic acid
SMILESCc1cc(C(=O)O)cnc1N(C)C1CCCCCC1
InChIInChI=1S/C15H22N2O2/c1-11-9-12(15(18)19)10-16-14(11)17(2)13-7-5-3-4-6-8-13/h9-10,13H,3-8H2,1-2H3,(H,18,19)
InChIKeyXIKLZAAVZYNXQE-UHFFFAOYSA-N
XLogP3.25
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[cycloheptyl(methyl)amino]-5-methylpyridine-3-carboxylic acid?
The IUPAC name of 6-[cycloheptyl(methyl)amino]-5-methylpyridine-3-carboxylic acid (CID 80631026) is 6-[cycloheptyl(methyl)amino]-5-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 6-[cycloheptyl(methyl)amino]-5-methylpyridine-3-carboxylic acid?
The canonical SMILES for 6-[cycloheptyl(methyl)amino]-5-methylpyridine-3-carboxylic acid is Cc1cc(C(=O)O)cnc1N(C)C1CCCCCC1.
What is the InChIKey of 6-[cycloheptyl(methyl)amino]-5-methylpyridine-3-carboxylic acid?
The InChIKey is XIKLZAAVZYNXQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11-9-12(15(18)19)10-16-14(11)17(2)13-7-5-3-4-6-8-13/h9-10,13H,3-8H2,1-2H3,(H,18,19).
What are the key properties of 6-[cycloheptyl(methyl)amino]-5-methylpyridine-3-carboxylic acid?
6-[cycloheptyl(methyl)amino]-5-methylpyridine-3-carboxylic acid has a molecular weight of 262.35 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[cycloheptyl(methyl)amino]-5-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 80631026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).