6-[[(4-hydroxycyclohexyl)methylamino]methyl]pyridine-3-carboxylic acid

C14H20N2O3 — CID 106133497

IUPAC6-[[(4-hydroxycyclohexyl)methylamino]methyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(CNCC2CCC(O)CC2)nc1
InChIInChI=1S/C14H20N2O3/c17-13-5-1-10(2-6-13)7-15-9-12-4-3-11(8-16-12)14(18)19/h3-4,8,10,13,15,17H,1-2,5-7,9H2,(H,18,19)
InChIKeyQVGNZNZVMAPEDO-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.42
Rot. Bonds5

About 6-[[(4-hydroxycyclohexyl)methylamino]methyl]pyridine-3-carboxylic acid

6-[[(4-hydroxycyclohexyl)methylamino]methyl]pyridine-3-carboxylic acid (PubChem CID 106133497) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 6-[[(4-hydroxycyclohexyl)methylamino]methyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[[(4-hydroxycyclohexyl)methylamino]methyl]pyridine-3-carboxylic acid
PubChem CID106133497
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name6-[[(4-hydroxycyclohexyl)methylamino]methyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(CNCC2CCC(O)CC2)nc1
InChIInChI=1S/C14H20N2O3/c17-13-5-1-10(2-6-13)7-15-9-12-4-3-11(8-16-12)14(18)19/h3-4,8,10,13,15,17H,1-2,5-7,9H2,(H,18,19)
InChIKeyQVGNZNZVMAPEDO-UHFFFAOYSA-N
XLogP1.42
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 6-[[(4-hydroxycyclohexyl)methylamino]methyl]pyridine-3-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

methyl 6-[[(3-hydroxycyclohexyl)methylamino]methyl]pyridine-3-carboxylate
CID 106132514
6-[[(1-cyclopropylcyclopropyl)methylamino]methyl]pyridine-3-carboxylic acid
CID 114095896
6-[(1,2-oxazol-3-ylmethylamino)methyl]pyridine-3-carboxylic acid
CID 81177066
1-cyclopropyl-N-[[5-(trifluoromethoxy)-2-pyridinyl]methyl]methanamine
CID 163383616
6-[(cyclopentylmethylamino)methyl]pyridin-3-ol
CID 79776493
8-[[(5-methyl-2-pyridinyl)methylamino]methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
CID 167909496
6-[[2-[2-(dimethylamino)ethoxy]ethylamino]methyl]pyridine-3-carboxylic acid
CID 114127595
6-[[[2-(2-methoxyethylamino)-2-oxoethyl]amino]methyl]pyridine-3-carboxylic acid
CID 113405119
5-[[(4-hydroxycyclohexyl)methylamino]methyl]thiophene-2-carboxylic acid
CID 106137091
6-(aminomethyl)pyridine-3-carboxylic acid;dihydrochloride
CID 71741681
6-[[(3-hydroxycyclohexyl)methylamino]methyl]pyridin-3-ol
CID 113373381
6-[[(4-methoxy-3-methylphenyl)methylamino]methyl]pyridine-3-carboxylic acid
CID 166258581

Frequently Asked Questions

What is the IUPAC name of 6-[[(4-hydroxycyclohexyl)methylamino]methyl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[[(4-hydroxycyclohexyl)methylamino]methyl]pyridine-3-carboxylic acid (CID 106133497) is 6-[[(4-hydroxycyclohexyl)methylamino]methyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[[(4-hydroxycyclohexyl)methylamino]methyl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[[(4-hydroxycyclohexyl)methylamino]methyl]pyridine-3-carboxylic acid is O=C(O)c1ccc(CNCC2CCC(O)CC2)nc1.
What is the InChIKey of 6-[[(4-hydroxycyclohexyl)methylamino]methyl]pyridine-3-carboxylic acid?
The InChIKey is QVGNZNZVMAPEDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c17-13-5-1-10(2-6-13)7-15-9-12-4-3-11(8-16-12)14(18)19/h3-4,8,10,13,15,17H,1-2,5-7,9H2,(H,18,19).
What are the key properties of 6-[[(4-hydroxycyclohexyl)methylamino]methyl]pyridine-3-carboxylic acid?
6-[[(4-hydroxycyclohexyl)methylamino]methyl]pyridine-3-carboxylic acid has a molecular weight of 264.32 g/mol, XLogP of 1.42, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(4-hydroxycyclohexyl)methylamino]methyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 106133497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).