N-hydroxy-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide

C11H11N5O2 — CID 57382294

IUPACN-hydroxy-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide
SMILESO=C(NO)c1cnc(NCc2ccccn2)nc1
InChIInChI=1S/C11H11N5O2/c17-10(16-18)8-5-13-11(14-6-8)15-7-9-3-1-2-4-12-9/h1-6,18H,7H2,(H,16,17)(H,13,14,15)
InChIKeyMLNQXXLSVZJJMQ-UHFFFAOYSA-N
MW245.24 g/mol
LogP0.60
Rot. Bonds4

About N-hydroxy-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide

N-hydroxy-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide (PubChem CID 57382294) has the molecular formula C11H11N5O2 and a molecular weight of 245.24 g/mol. Its IUPAC name is N-hydroxy-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide
PubChem CID57382294
Molecular FormulaC11H11N5O2
Molecular Weight245.24 g/mol
Exact Mass245.09
IUPAC NameN-hydroxy-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide
SMILESO=C(NO)c1cnc(NCc2ccccn2)nc1
InChIInChI=1S/C11H11N5O2/c17-10(16-18)8-5-13-11(14-6-8)15-7-9-3-1-2-4-12-9/h1-6,18H,7H2,(H,16,17)(H,13,14,15)
InChIKeyMLNQXXLSVZJJMQ-UHFFFAOYSA-N
XLogP0.60
TPSA100.03 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-hydroxy-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide 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-hydroxy-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide?
The IUPAC name of N-hydroxy-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide (CID 57382294) is N-hydroxy-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-hydroxy-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide?
The canonical SMILES for N-hydroxy-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide is O=C(NO)c1cnc(NCc2ccccn2)nc1.
What is the InChIKey of N-hydroxy-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide?
The InChIKey is MLNQXXLSVZJJMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O2/c17-10(16-18)8-5-13-11(14-6-8)15-7-9-3-1-2-4-12-9/h1-6,18H,7H2,(H,16,17)(H,13,14,15).
What are the key properties of N-hydroxy-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide?
N-hydroxy-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide has a molecular weight of 245.24 g/mol, XLogP of 0.60, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 57382294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).