N-hydroxy-2-(pyridin-4-ylmethylamino)pyrimidine-5-carboxamide

C11H11N5O2 — CID 57381424

IUPACN-hydroxy-2-(pyridin-4-ylmethylamino)pyrimidine-5-carboxamide
SMILESO=C(NO)c1cnc(NCc2ccncc2)nc1
InChIInChI=1S/C11H11N5O2/c17-10(16-18)9-6-14-11(15-7-9)13-5-8-1-3-12-4-2-8/h1-4,6-7,18H,5H2,(H,16,17)(H,13,14,15)
InChIKeyKRELJAKHVWUKFR-UHFFFAOYSA-N
MW245.24 g/mol
LogP0.60
Rot. Bonds4

About N-hydroxy-2-(pyridin-4-ylmethylamino)pyrimidine-5-carboxamide

N-hydroxy-2-(pyridin-4-ylmethylamino)pyrimidine-5-carboxamide (PubChem CID 57381424) has the molecular formula C11H11N5O2 and a molecular weight of 245.24 g/mol. Its IUPAC name is N-hydroxy-2-(pyridin-4-ylmethylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2-(pyridin-4-ylmethylamino)pyrimidine-5-carboxamide
PubChem CID57381424
Molecular FormulaC11H11N5O2
Molecular Weight245.24 g/mol
Exact Mass245.09
IUPAC NameN-hydroxy-2-(pyridin-4-ylmethylamino)pyrimidine-5-carboxamide
SMILESO=C(NO)c1cnc(NCc2ccncc2)nc1
InChIInChI=1S/C11H11N5O2/c17-10(16-18)9-6-14-11(15-7-9)13-5-8-1-3-12-4-2-8/h1-4,6-7,18H,5H2,(H,16,17)(H,13,14,15)
InChIKeyKRELJAKHVWUKFR-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'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-(pyridin-4-ylmethylamino)pyrimidine-5-carboxamide?
The IUPAC name of N-hydroxy-2-(pyridin-4-ylmethylamino)pyrimidine-5-carboxamide (CID 57381424) is N-hydroxy-2-(pyridin-4-ylmethylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-hydroxy-2-(pyridin-4-ylmethylamino)pyrimidine-5-carboxamide?
The canonical SMILES for N-hydroxy-2-(pyridin-4-ylmethylamino)pyrimidine-5-carboxamide is O=C(NO)c1cnc(NCc2ccncc2)nc1.
What is the InChIKey of N-hydroxy-2-(pyridin-4-ylmethylamino)pyrimidine-5-carboxamide?
The InChIKey is KRELJAKHVWUKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O2/c17-10(16-18)9-6-14-11(15-7-9)13-5-8-1-3-12-4-2-8/h1-4,6-7,18H,5H2,(H,16,17)(H,13,14,15).
What are the key properties of N-hydroxy-2-(pyridin-4-ylmethylamino)pyrimidine-5-carboxamide?
N-hydroxy-2-(pyridin-4-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-4-ylmethylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 57381424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).