6-[[cycloheptyl(methyl)amino]methyl]pyridine-2-carboxylic acid

C15H22N2O2 — CID 106903990

IUPAC6-[[cycloheptyl(methyl)amino]methyl]pyridine-2-carboxylic acid
SMILESCN(Cc1cccc(C(=O)O)n1)C1CCCCCC1
InChIInChI=1S/C15H22N2O2/c1-17(13-8-4-2-3-5-9-13)11-12-7-6-10-14(16-12)15(18)19/h6-7,10,13H,2-5,8-9,11H2,1H3,(H,18,19)
InChIKeyPYYXHPAOOWEKAC-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.93
Rot. Bonds4

About 6-[[cycloheptyl(methyl)amino]methyl]pyridine-2-carboxylic acid

6-[[cycloheptyl(methyl)amino]methyl]pyridine-2-carboxylic acid (PubChem CID 106903990) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 6-[[cycloheptyl(methyl)amino]methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[[cycloheptyl(methyl)amino]methyl]pyridine-2-carboxylic acid
PubChem CID106903990
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name6-[[cycloheptyl(methyl)amino]methyl]pyridine-2-carboxylic acid
SMILESCN(Cc1cccc(C(=O)O)n1)C1CCCCCC1
InChIInChI=1S/C15H22N2O2/c1-17(13-8-4-2-3-5-9-13)11-12-7-6-10-14(16-12)15(18)19/h6-7,10,13H,2-5,8-9,11H2,1H3,(H,18,19)
InChIKeyPYYXHPAOOWEKAC-UHFFFAOYSA-N
XLogP2.93
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[cyclopentyl(methyl)carbamoyl]pyridine-2-carboxylic acid
CID 43558469
N-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]-N-methylcyclohexanamine
CID 106905571
N-[(6-hydrazinyl-2-pyridinyl)methyl]-N-methylcyclohexanamine
CID 79243666
N-[(6-hydrazinyl-2-pyridinyl)methyl]-N-methylcycloheptanamine
CID 79243284
6-[[butyl(cyclopropyl)amino]methyl]pyridine-2-carboxylic acid
CID 106904048
6-[[2-(dimethylamino)ethyl-methylamino]methyl]pyridine-2-carboxylic acid
CID 106904183
6-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]pyridine-2-carboxylic acid
CID 106904188
6-[[ethyl(oxan-4-yl)amino]methyl]pyridine-2-carboxylic acid
CID 74234981
6-[cyclohexylmethyl(methyl)carbamoyl]pyridine-2-carboxylic acid
CID 61444061
6-[(1-cyclohexylethylamino)methyl]pyridine-2-carboxylic acid
CID 106904668
6-[[(4-fluorophenyl)methyl-methylamino]methyl]pyridine-2-carboxylic acid
CID 106904017
6-[[methyl-[2-(methylamino)ethyl]amino]methyl]pyridine-2-carboxylic acid
CID 106904193

Frequently Asked Questions

What is the IUPAC name of 6-[[cycloheptyl(methyl)amino]methyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[[cycloheptyl(methyl)amino]methyl]pyridine-2-carboxylic acid (CID 106903990) is 6-[[cycloheptyl(methyl)amino]methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[[cycloheptyl(methyl)amino]methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[[cycloheptyl(methyl)amino]methyl]pyridine-2-carboxylic acid is CN(Cc1cccc(C(=O)O)n1)C1CCCCCC1.
What is the InChIKey of 6-[[cycloheptyl(methyl)amino]methyl]pyridine-2-carboxylic acid?
The InChIKey is PYYXHPAOOWEKAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-17(13-8-4-2-3-5-9-13)11-12-7-6-10-14(16-12)15(18)19/h6-7,10,13H,2-5,8-9,11H2,1H3,(H,18,19).
What are the key properties of 6-[[cycloheptyl(methyl)amino]methyl]pyridine-2-carboxylic acid?
6-[[cycloheptyl(methyl)amino]methyl]pyridine-2-carboxylic acid has a molecular weight of 262.35 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[cycloheptyl(methyl)amino]methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 106903990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).