5-amino-2-[(3-amino-2-hydroxy-3-oxopropyl)amino]pyridine-3-carboxamide

C9H13N5O3 — CID 106166474

IUPAC5-amino-2-[(3-amino-2-hydroxy-3-oxopropyl)amino]pyridine-3-carboxamide
SMILESNC(=O)c1cc(N)cnc1NCC(O)C(N)=O
InChIInChI=1S/C9H13N5O3/c10-4-1-5(7(11)16)9(13-2-4)14-3-6(15)8(12)17/h1-2,6,15H,3,10H2,(H2,11,16)(H2,12,17)(H,13,14)
InChIKeyKGASDJLNNMLYFP-UHFFFAOYSA-N
MW239.24 g/mol
LogP-1.98
Rot. Bonds5

About 5-amino-2-[(3-amino-2-hydroxy-3-oxopropyl)amino]pyridine-3-carboxamide

5-amino-2-[(3-amino-2-hydroxy-3-oxopropyl)amino]pyridine-3-carboxamide (PubChem CID 106166474) has the molecular formula C9H13N5O3 and a molecular weight of 239.24 g/mol. Its IUPAC name is 5-amino-2-[(3-amino-2-hydroxy-3-oxopropyl)amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-amino-2-[(3-amino-2-hydroxy-3-oxopropyl)amino]pyridine-3-carboxamide
PubChem CID106166474
Molecular FormulaC9H13N5O3
Molecular Weight239.24 g/mol
Exact Mass239.10
IUPAC Name5-amino-2-[(3-amino-2-hydroxy-3-oxopropyl)amino]pyridine-3-carboxamide
SMILESNC(=O)c1cc(N)cnc1NCC(O)C(N)=O
InChIInChI=1S/C9H13N5O3/c10-4-1-5(7(11)16)9(13-2-4)14-3-6(15)8(12)17/h1-2,6,15H,3,10H2,(H2,11,16)(H2,12,17)(H,13,14)
InChIKeyKGASDJLNNMLYFP-UHFFFAOYSA-N
XLogP-1.98
TPSA157.35 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 5-1.98
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze 5-amino-2-[(3-amino-2-hydroxy-3-oxopropyl)amino]pyridine-3-carboxamide 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

5-amino-2-(ethylamino)pyridine-3-carboxamide
CID 61357419
5-amino-2-(4-hydroxybutan-2-ylamino)pyridine-3-carboxamide
CID 83177593
5-amino-2-[2-(3-hydroxypropylsulfanyl)ethylamino]pyridine-3-carboxamide
CID 106309000
5-amino-2-(2-methylpropylamino)pyridine-3-carboxylic acid
CID 82470655
5-amino-2-(cyclohexylmethylamino)pyridine-3-carboxamide
CID 61359178
5-amino-2-(4-methoxybutan-2-ylamino)pyridine-3-carboxamide
CID 64600483
5-amino-2-[(2-chlorophenyl)methylamino]pyridine-3-carboxamide
CID 61358389
5-amino-2-(pyridin-2-ylmethylamino)pyridine-3-carboxamide
CID 61359752
5-amino-2-[3-(methanesulfonamido)propylamino]pyridine-3-carboxamide
CID 106333765
3-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-2-hydroxypropanamide
CID 106166830
5-amino-2-[[3-(cyclopropylamino)-3-oxopropyl]amino]pyridine-3-carboxamide
CID 79385386
5-amino-2-[(5-methylthiophen-2-yl)methylamino]pyridine-3-carboxamide
CID 62057948

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[(3-amino-2-hydroxy-3-oxopropyl)amino]pyridine-3-carboxamide?
The IUPAC name of 5-amino-2-[(3-amino-2-hydroxy-3-oxopropyl)amino]pyridine-3-carboxamide (CID 106166474) is 5-amino-2-[(3-amino-2-hydroxy-3-oxopropyl)amino]pyridine-3-carboxamide.
What is the SMILES notation for 5-amino-2-[(3-amino-2-hydroxy-3-oxopropyl)amino]pyridine-3-carboxamide?
The canonical SMILES for 5-amino-2-[(3-amino-2-hydroxy-3-oxopropyl)amino]pyridine-3-carboxamide is NC(=O)c1cc(N)cnc1NCC(O)C(N)=O.
What is the InChIKey of 5-amino-2-[(3-amino-2-hydroxy-3-oxopropyl)amino]pyridine-3-carboxamide?
The InChIKey is KGASDJLNNMLYFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O3/c10-4-1-5(7(11)16)9(13-2-4)14-3-6(15)8(12)17/h1-2,6,15H,3,10H2,(H2,11,16)(H2,12,17)(H,13,14).
What are the key properties of 5-amino-2-[(3-amino-2-hydroxy-3-oxopropyl)amino]pyridine-3-carboxamide?
5-amino-2-[(3-amino-2-hydroxy-3-oxopropyl)amino]pyridine-3-carboxamide has a molecular weight of 239.24 g/mol, XLogP of -1.98, 5 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[(3-amino-2-hydroxy-3-oxopropyl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 106166474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).