N,3-dihydroxy-4-(hydroxymethyl)-5-[(2-phenylacetyl)amino]pyridine-2-carboxamide

C15H15N3O5 — CID 127040890

IUPACN,3-dihydroxy-4-(hydroxymethyl)-5-[(2-phenylacetyl)amino]pyridine-2-carboxamide
SMILESO=C(Cc1ccccc1)Nc1cnc(C(=O)NO)c(O)c1CO
InChIInChI=1S/C15H15N3O5/c19-8-10-11(7-16-13(14(10)21)15(22)18-23)17-12(20)6-9-4-2-1-3-5-9/h1-5,7,19,21,23H,6,8H2,(H,17,20)(H,18,22)
InChIKeyBNHDKRXYVFPOGS-UHFFFAOYSA-N
MW317.30 g/mol
LogP0.58
Rot. Bonds5

About N,3-dihydroxy-4-(hydroxymethyl)-5-[(2-phenylacetyl)amino]pyridine-2-carboxamide

N,3-dihydroxy-4-(hydroxymethyl)-5-[(2-phenylacetyl)amino]pyridine-2-carboxamide (PubChem CID 127040890) has the molecular formula C15H15N3O5 and a molecular weight of 317.30 g/mol. Its IUPAC name is N,3-dihydroxy-4-(hydroxymethyl)-5-[(2-phenylacetyl)amino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN,3-dihydroxy-4-(hydroxymethyl)-5-[(2-phenylacetyl)amino]pyridine-2-carboxamide
PubChem CID127040890
Molecular FormulaC15H15N3O5
Molecular Weight317.30 g/mol
Exact Mass317.10
IUPAC NameN,3-dihydroxy-4-(hydroxymethyl)-5-[(2-phenylacetyl)amino]pyridine-2-carboxamide
SMILESO=C(Cc1ccccc1)Nc1cnc(C(=O)NO)c(O)c1CO
InChIInChI=1S/C15H15N3O5/c19-8-10-11(7-16-13(14(10)21)15(22)18-23)17-12(20)6-9-4-2-1-3-5-9/h1-5,7,19,21,23H,6,8H2,(H,17,20)(H,18,22)
InChIKeyBNHDKRXYVFPOGS-UHFFFAOYSA-N
XLogP0.58
TPSA131.78 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.30
LogP ≤ 50.58
H-Bond Donors ≤ 55
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,3-dihydroxy-4-(hydroxymethyl)-5-[(2-phenylacetyl)amino]pyridine-2-carboxamide?
The IUPAC name of N,3-dihydroxy-4-(hydroxymethyl)-5-[(2-phenylacetyl)amino]pyridine-2-carboxamide (CID 127040890) is N,3-dihydroxy-4-(hydroxymethyl)-5-[(2-phenylacetyl)amino]pyridine-2-carboxamide.
What is the SMILES notation for N,3-dihydroxy-4-(hydroxymethyl)-5-[(2-phenylacetyl)amino]pyridine-2-carboxamide?
The canonical SMILES for N,3-dihydroxy-4-(hydroxymethyl)-5-[(2-phenylacetyl)amino]pyridine-2-carboxamide is O=C(Cc1ccccc1)Nc1cnc(C(=O)NO)c(O)c1CO.
What is the InChIKey of N,3-dihydroxy-4-(hydroxymethyl)-5-[(2-phenylacetyl)amino]pyridine-2-carboxamide?
The InChIKey is BNHDKRXYVFPOGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O5/c19-8-10-11(7-16-13(14(10)21)15(22)18-23)17-12(20)6-9-4-2-1-3-5-9/h1-5,7,19,21,23H,6,8H2,(H,17,20)(H,18,22).
What are the key properties of N,3-dihydroxy-4-(hydroxymethyl)-5-[(2-phenylacetyl)amino]pyridine-2-carboxamide?
N,3-dihydroxy-4-(hydroxymethyl)-5-[(2-phenylacetyl)amino]pyridine-2-carboxamide has a molecular weight of 317.30 g/mol, XLogP of 0.58, 5 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dihydroxy-4-(hydroxymethyl)-5-[(2-phenylacetyl)amino]pyridine-2-carboxamide is sourced from PubChem (CID 127040890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).