4-[(1-hydroxycyclohexyl)methylamino]pyridine-3-carboxylic acid

C13H18N2O3 — CID 114093576

IUPAC4-[(1-hydroxycyclohexyl)methylamino]pyridine-3-carboxylic acid
SMILESO=C(O)c1cnccc1NCC1(O)CCCCC1
InChIInChI=1S/C13H18N2O3/c16-12(17)10-8-14-7-4-11(10)15-9-13(18)5-2-1-3-6-13/h4,7-8,18H,1-3,5-6,9H2,(H,14,15)(H,16,17)
InChIKeyHFAIZMUWNVIZSJ-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.89
Rot. Bonds4

About 4-[(1-hydroxycyclohexyl)methylamino]pyridine-3-carboxylic acid

4-[(1-hydroxycyclohexyl)methylamino]pyridine-3-carboxylic acid (PubChem CID 114093576) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 4-[(1-hydroxycyclohexyl)methylamino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-[(1-hydroxycyclohexyl)methylamino]pyridine-3-carboxylic acid
PubChem CID114093576
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name4-[(1-hydroxycyclohexyl)methylamino]pyridine-3-carboxylic acid
SMILESO=C(O)c1cnccc1NCC1(O)CCCCC1
InChIInChI=1S/C13H18N2O3/c16-12(17)10-8-14-7-4-11(10)15-9-13(18)5-2-1-3-6-13/h4,7-8,18H,1-3,5-6,9H2,(H,14,15)(H,16,17)
InChIKeyHFAIZMUWNVIZSJ-UHFFFAOYSA-N
XLogP1.89
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[(3-methyl-4-pyridinyl)amino]methyl]cycloheptan-1-ol
CID 65122535
3-[[1-(hydroxymethyl)cyclohexyl]methylamino]pyridine-4-carboxylic acid
CID 103968372
4-(2,2-dimethylpropylamino)pyridine-3-carboxylic acid
CID 81233154
4-(thiolan-2-ylmethylamino)pyridine-3-carboxylic acid
CID 81243951
4-[(4-fluorophenyl)methylamino]pyridine-3-carboxylic acid
CID 81233465
4-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridine-3-carboxylic acid
CID 81243605
3-chloro-N-[(1-hydroxycyclohexyl)methyl]pyridine-4-carboxamide
CID 66483576
4-(2,2-difluoropropylamino)pyridine-3-carboxylic acid
CID 164651998
4-(2-methylprop-2-enylamino)pyridine-3-carboxylic acid
CID 114617444
4-(cycloheptylamino)pyridine-3-carboxylic acid
CID 81232550
N-[(1-hydroxycyclohexyl)methyl]pyridine-4-carboxamide
CID 64868056
4-(cyclobutylamino)pyridine-3-carboxylic acid
CID 81243809

Frequently Asked Questions

What is the IUPAC name of 4-[(1-hydroxycyclohexyl)methylamino]pyridine-3-carboxylic acid?
The IUPAC name of 4-[(1-hydroxycyclohexyl)methylamino]pyridine-3-carboxylic acid (CID 114093576) is 4-[(1-hydroxycyclohexyl)methylamino]pyridine-3-carboxylic acid.
What is the SMILES notation for 4-[(1-hydroxycyclohexyl)methylamino]pyridine-3-carboxylic acid?
The canonical SMILES for 4-[(1-hydroxycyclohexyl)methylamino]pyridine-3-carboxylic acid is O=C(O)c1cnccc1NCC1(O)CCCCC1.
What is the InChIKey of 4-[(1-hydroxycyclohexyl)methylamino]pyridine-3-carboxylic acid?
The InChIKey is HFAIZMUWNVIZSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c16-12(17)10-8-14-7-4-11(10)15-9-13(18)5-2-1-3-6-13/h4,7-8,18H,1-3,5-6,9H2,(H,14,15)(H,16,17).
What are the key properties of 4-[(1-hydroxycyclohexyl)methylamino]pyridine-3-carboxylic acid?
4-[(1-hydroxycyclohexyl)methylamino]pyridine-3-carboxylic acid has a molecular weight of 250.30 g/mol, XLogP of 1.89, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-hydroxycyclohexyl)methylamino]pyridine-3-carboxylic acid is sourced from PubChem (CID 114093576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).