2-amino-5-[4-(hydroxymethyl)piperidin-1-yl]pyridine-4-carboxylic acid

C12H17N3O3 — CID 114194642

IUPAC2-amino-5-[4-(hydroxymethyl)piperidin-1-yl]pyridine-4-carboxylic acid
SMILESNc1cc(C(=O)O)c(N2CCC(CO)CC2)cn1
InChIInChI=1S/C12H17N3O3/c13-11-5-9(12(17)18)10(6-14-11)15-3-1-8(7-16)2-4-15/h5-6,8,16H,1-4,7H2,(H2,13,14)(H,17,18)
InChIKeyDNPRSLMGQNNUIN-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.57
Rot. Bonds3

About 2-amino-5-[4-(hydroxymethyl)piperidin-1-yl]pyridine-4-carboxylic acid

2-amino-5-[4-(hydroxymethyl)piperidin-1-yl]pyridine-4-carboxylic acid (PubChem CID 114194642) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-amino-5-[4-(hydroxymethyl)piperidin-1-yl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-amino-5-[4-(hydroxymethyl)piperidin-1-yl]pyridine-4-carboxylic acid
PubChem CID114194642
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name2-amino-5-[4-(hydroxymethyl)piperidin-1-yl]pyridine-4-carboxylic acid
SMILESNc1cc(C(=O)O)c(N2CCC(CO)CC2)cn1
InChIInChI=1S/C12H17N3O3/c13-11-5-9(12(17)18)10(6-14-11)15-3-1-8(7-16)2-4-15/h5-6,8,16H,1-4,7H2,(H2,13,14)(H,17,18)
InChIKeyDNPRSLMGQNNUIN-UHFFFAOYSA-N
XLogP0.57
TPSA99.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-5-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pyridine-4-carboxylic acid
CID 114195412
methyl 2-amino-5-[3-(methoxymethyl)pyrrolidin-1-yl]pyridine-4-carboxylate
CID 114195170
2-amino-5-[(1-methylpyrrolidin-3-yl)methylamino]pyridine-4-carboxylic acid
CID 114194871
2-amino-5-[4-(hydroxymethyl)piperidin-1-yl]benzoic acid
CID 60990150
[1-[5-amino-2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]methanol
CID 106747257
2-amino-5-[(1-methylpiperidin-4-yl)methylamino]pyridine-4-carboxamide
CID 114195011
ethyl 2-amino-5-morpholin-4-ylpyridine-4-carboxylate
CID 114194649
3-[4-(hydroxymethyl)piperidin-1-yl]pyridine-4-carbothioamide
CID 113269540
5-(hydroxymethyl)-2-[4-(hydroxymethyl)piperidin-1-yl]benzamide
CID 68507262
2-[4-(hydroxymethyl)piperidin-1-yl]-1,3-thiazole-5-carboxylic acid
CID 71208660
4-[4-(hydroxymethyl)piperidin-1-yl]quinoline-6-carboxylic acid
CID 66978033
[1-(6-aminopyrazin-2-yl)piperidin-4-yl]methanol
CID 78988791

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[4-(hydroxymethyl)piperidin-1-yl]pyridine-4-carboxylic acid?
The IUPAC name of 2-amino-5-[4-(hydroxymethyl)piperidin-1-yl]pyridine-4-carboxylic acid (CID 114194642) is 2-amino-5-[4-(hydroxymethyl)piperidin-1-yl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-amino-5-[4-(hydroxymethyl)piperidin-1-yl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-amino-5-[4-(hydroxymethyl)piperidin-1-yl]pyridine-4-carboxylic acid is Nc1cc(C(=O)O)c(N2CCC(CO)CC2)cn1.
What is the InChIKey of 2-amino-5-[4-(hydroxymethyl)piperidin-1-yl]pyridine-4-carboxylic acid?
The InChIKey is DNPRSLMGQNNUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c13-11-5-9(12(17)18)10(6-14-11)15-3-1-8(7-16)2-4-15/h5-6,8,16H,1-4,7H2,(H2,13,14)(H,17,18).
What are the key properties of 2-amino-5-[4-(hydroxymethyl)piperidin-1-yl]pyridine-4-carboxylic acid?
2-amino-5-[4-(hydroxymethyl)piperidin-1-yl]pyridine-4-carboxylic acid has a molecular weight of 251.29 g/mol, XLogP of 0.57, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[4-(hydroxymethyl)piperidin-1-yl]pyridine-4-carboxylic acid is sourced from PubChem (CID 114194642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).