N-(4-amino-2-pyridinyl)-3-hydroxy-2-(hydroxymethyl)propanamide

C9H13N3O3 — CID 70824436

IUPACN-(4-amino-2-pyridinyl)-3-hydroxy-2-(hydroxymethyl)propanamide
SMILESNc1ccnc(NC(=O)C(CO)CO)c1
InChIInChI=1S/C9H13N3O3/c10-7-1-2-11-8(3-7)12-9(15)6(4-13)5-14/h1-3,6,13-14H,4-5H2,(H3,10,11,12,15)
InChIKeyKDSWRFZCNJWSSX-UHFFFAOYSA-N
MW211.22 g/mol
LogP-0.80
Rot. Bonds4

About N-(4-amino-2-pyridinyl)-3-hydroxy-2-(hydroxymethyl)propanamide

N-(4-amino-2-pyridinyl)-3-hydroxy-2-(hydroxymethyl)propanamide (PubChem CID 70824436) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is N-(4-amino-2-pyridinyl)-3-hydroxy-2-(hydroxymethyl)propanamide.

Molecular Properties

Compound NameN-(4-amino-2-pyridinyl)-3-hydroxy-2-(hydroxymethyl)propanamide
PubChem CID70824436
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC NameN-(4-amino-2-pyridinyl)-3-hydroxy-2-(hydroxymethyl)propanamide
SMILESNc1ccnc(NC(=O)C(CO)CO)c1
InChIInChI=1S/C9H13N3O3/c10-7-1-2-11-8(3-7)12-9(15)6(4-13)5-14/h1-3,6,13-14H,4-5H2,(H3,10,11,12,15)
InChIKeyKDSWRFZCNJWSSX-UHFFFAOYSA-N
XLogP-0.80
TPSA108.47 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-0.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze N-(4-amino-2-pyridinyl)-3-hydroxy-2-(hydroxymethyl)propanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-pyridinyl)-3-hydroxy-2-(hydroxymethyl)propanamide?
The IUPAC name of N-(4-amino-2-pyridinyl)-3-hydroxy-2-(hydroxymethyl)propanamide (CID 70824436) is N-(4-amino-2-pyridinyl)-3-hydroxy-2-(hydroxymethyl)propanamide.
What is the SMILES notation for N-(4-amino-2-pyridinyl)-3-hydroxy-2-(hydroxymethyl)propanamide?
The canonical SMILES for N-(4-amino-2-pyridinyl)-3-hydroxy-2-(hydroxymethyl)propanamide is Nc1ccnc(NC(=O)C(CO)CO)c1.
What is the InChIKey of N-(4-amino-2-pyridinyl)-3-hydroxy-2-(hydroxymethyl)propanamide?
The InChIKey is KDSWRFZCNJWSSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c10-7-1-2-11-8(3-7)12-9(15)6(4-13)5-14/h1-3,6,13-14H,4-5H2,(H3,10,11,12,15).
What are the key properties of N-(4-amino-2-pyridinyl)-3-hydroxy-2-(hydroxymethyl)propanamide?
N-(4-amino-2-pyridinyl)-3-hydroxy-2-(hydroxymethyl)propanamide has a molecular weight of 211.22 g/mol, XLogP of -0.80, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-pyridinyl)-3-hydroxy-2-(hydroxymethyl)propanamide is sourced from PubChem (CID 70824436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).