6-[[1-(dimethylamino)cycloheptyl]methylamino]pyridine-2-carboxylic acid

C16H25N3O2 — CID 122052738

IUPAC6-[[1-(dimethylamino)cycloheptyl]methylamino]pyridine-2-carboxylic acid
SMILESCN(C)C1(CNc2cccc(C(=O)O)n2)CCCCCC1
InChIInChI=1S/C16H25N3O2/c1-19(2)16(10-5-3-4-6-11-16)12-17-14-9-7-8-13(18-14)15(20)21/h7-9H,3-6,10-12H2,1-2H3,(H,17,18)(H,20,21)
InChIKeyOMIFSIIQSYTCGO-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.85
Rot. Bonds5

About 6-[[1-(dimethylamino)cycloheptyl]methylamino]pyridine-2-carboxylic acid

6-[[1-(dimethylamino)cycloheptyl]methylamino]pyridine-2-carboxylic acid (PubChem CID 122052738) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 6-[[1-(dimethylamino)cycloheptyl]methylamino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[[1-(dimethylamino)cycloheptyl]methylamino]pyridine-2-carboxylic acid
PubChem CID122052738
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name6-[[1-(dimethylamino)cycloheptyl]methylamino]pyridine-2-carboxylic acid
SMILESCN(C)C1(CNc2cccc(C(=O)O)n2)CCCCCC1
InChIInChI=1S/C16H25N3O2/c1-19(2)16(10-5-3-4-6-11-16)12-17-14-9-7-8-13(18-14)15(20)21/h7-9H,3-6,10-12H2,1-2H3,(H,17,18)(H,20,21)
InChIKeyOMIFSIIQSYTCGO-UHFFFAOYSA-N
XLogP2.85
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[1-(dimethylamino)cyclopentyl]methylamino]pyrazine-2-carboxylic acid
CID 83117218
6-N-[[1-(dimethylamino)cyclopentyl]methyl]pyridine-2,6-diamine
CID 83117229
N-[[1-(dimethylamino)cyclobutyl]methyl]-6-(ethylamino)pyridine-2-carboxamide
CID 105420344
3-chloro-6-[[1-(dimethylamino)cyclopentyl]methylamino]pyridine-2-carboxylic acid
CID 83121539
6-[[1-(2-methoxyethyl)cyclopentyl]methylamino]pyridine-2-carboxylic acid
CID 122048895
6-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-N-methylpyridine-2,6-diamine
CID 105420768
N-[[1-(dimethylamino)cyclobutyl]methyl]-6-(propylamino)pyridine-2-carboxamide
CID 105420352
6-[[1-(2-hydroxyethyl)cyclobutyl]methylamino]pyridine-2-carboxylic acid
CID 136548093
N-[[1-(dimethylamino)cyclopentyl]methyl]-6-(trifluoromethyl)pyridin-2-amine
CID 78953595
6-[2-(1-methylcyclopropyl)ethylamino]pyridine-2-carboxylic acid
CID 122057061
6-[[1-(cyanomethyl)cyclopropyl]methylamino]pyridine-2-carboxylic acid
CID 122057114
6-[(2-cyclopropyl-3-methyloxolan-3-yl)methylamino]pyridine-2-carboxylic acid
CID 122054940

Frequently Asked Questions

What is the IUPAC name of 6-[[1-(dimethylamino)cycloheptyl]methylamino]pyridine-2-carboxylic acid?
The IUPAC name of 6-[[1-(dimethylamino)cycloheptyl]methylamino]pyridine-2-carboxylic acid (CID 122052738) is 6-[[1-(dimethylamino)cycloheptyl]methylamino]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[[1-(dimethylamino)cycloheptyl]methylamino]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[[1-(dimethylamino)cycloheptyl]methylamino]pyridine-2-carboxylic acid is CN(C)C1(CNc2cccc(C(=O)O)n2)CCCCCC1.
What is the InChIKey of 6-[[1-(dimethylamino)cycloheptyl]methylamino]pyridine-2-carboxylic acid?
The InChIKey is OMIFSIIQSYTCGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-19(2)16(10-5-3-4-6-11-16)12-17-14-9-7-8-13(18-14)15(20)21/h7-9H,3-6,10-12H2,1-2H3,(H,17,18)(H,20,21).
What are the key properties of 6-[[1-(dimethylamino)cycloheptyl]methylamino]pyridine-2-carboxylic acid?
6-[[1-(dimethylamino)cycloheptyl]methylamino]pyridine-2-carboxylic acid has a molecular weight of 291.39 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-(dimethylamino)cycloheptyl]methylamino]pyridine-2-carboxylic acid is sourced from PubChem (CID 122052738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).