6-[[(2-methylcyclopropyl)methylamino]methyl]pyridine-2-carboxylic acid

C12H16N2O2 — CID 106904960

IUPAC6-[[(2-methylcyclopropyl)methylamino]methyl]pyridine-2-carboxylic acid
SMILESCC1CC1CNCc1cccc(C(=O)O)n1
InChIInChI=1S/C12H16N2O2/c1-8-5-9(8)6-13-7-10-3-2-4-11(14-10)12(15)16/h2-4,8-9,13H,5-7H2,1H3,(H,15,16)
InChIKeyYHOZIEAZHLQWBZ-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.53
Rot. Bonds5

About 6-[[(2-methylcyclopropyl)methylamino]methyl]pyridine-2-carboxylic acid

6-[[(2-methylcyclopropyl)methylamino]methyl]pyridine-2-carboxylic acid (PubChem CID 106904960) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 6-[[(2-methylcyclopropyl)methylamino]methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[[(2-methylcyclopropyl)methylamino]methyl]pyridine-2-carboxylic acid
PubChem CID106904960
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name6-[[(2-methylcyclopropyl)methylamino]methyl]pyridine-2-carboxylic acid
SMILESCC1CC1CNCc1cccc(C(=O)O)n1
InChIInChI=1S/C12H16N2O2/c1-8-5-9(8)6-13-7-10-3-2-4-11(14-10)12(15)16/h2-4,8-9,13H,5-7H2,1H3,(H,15,16)
InChIKeyYHOZIEAZHLQWBZ-UHFFFAOYSA-N
XLogP1.53
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-[[(2-methylcyclopropyl)methylamino]methyl]pyridine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[(thian-4-ylmethylamino)methyl]pyridine-2-carboxylic acid
CID 106904943
ethane;6-(methylaminomethyl)pyridine-2-carboxylic acid
CID 166148097
6-[(2-ethylbutylamino)methyl]pyridine-2-carboxylic acid
CID 106904993
6-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]pyridine-2-carboxylic acid
CID 106904188
6-[[(2,4-dimethylcyclohexyl)amino]methyl]pyridine-2-carboxylic acid
CID 106904706
6-[(but-2-ynylamino)methyl]pyridine-2-carboxylic acid
CID 106904962
6-[[(5-methylfuran-2-yl)methylamino]methyl]pyridine-2-carboxylic acid
CID 106904658
6-[(3-methylbut-2-enylamino)methyl]pyridine-2-carboxylic acid
CID 106190462
6-[(3-hydroxybutylamino)methyl]pyridine-2-carboxylic acid
CID 106904745
6-[[[2-(ethylamino)-2-oxoethyl]amino]methyl]pyridine-2-carboxylic acid
CID 106904472
6-[(methylcarbamoylamino)methyl]pyridine-2-carboxylic acid
CID 84676608
6-[[(2-methyl-2-methylsulfanylpropyl)amino]methyl]pyridine-2-carboxylic acid
CID 106904961

Frequently Asked Questions

What is the IUPAC name of 6-[[(2-methylcyclopropyl)methylamino]methyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[[(2-methylcyclopropyl)methylamino]methyl]pyridine-2-carboxylic acid (CID 106904960) is 6-[[(2-methylcyclopropyl)methylamino]methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[[(2-methylcyclopropyl)methylamino]methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[[(2-methylcyclopropyl)methylamino]methyl]pyridine-2-carboxylic acid is CC1CC1CNCc1cccc(C(=O)O)n1.
What is the InChIKey of 6-[[(2-methylcyclopropyl)methylamino]methyl]pyridine-2-carboxylic acid?
The InChIKey is YHOZIEAZHLQWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-8-5-9(8)6-13-7-10-3-2-4-11(14-10)12(15)16/h2-4,8-9,13H,5-7H2,1H3,(H,15,16).
What are the key properties of 6-[[(2-methylcyclopropyl)methylamino]methyl]pyridine-2-carboxylic acid?
6-[[(2-methylcyclopropyl)methylamino]methyl]pyridine-2-carboxylic acid has a molecular weight of 220.27 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(2-methylcyclopropyl)methylamino]methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 106904960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).