N-[(E)-[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylideneamino]-2-methylfuran-3-carboxamide

C14H15N3O4 — CID 135715143

IUPACN-[(E)-[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylideneamino]-2-methylfuran-3-carboxamide
SMILESCc1ncc(CO)c(/C=N/NC(=O)c2ccoc2C)c1O
InChIInChI=1S/C14H15N3O4/c1-8-13(19)12(10(7-18)5-15-8)6-16-17-14(20)11-3-4-21-9(11)2/h3-6,18-19H,7H2,1-2H3,(H,17,20)/b16-6+
InChIKeyFYFQDGOOPKJLEJ-OMCISZLKSA-N
MW289.29 g/mol
LogP1.25
Rot. Bonds4

About N-[(E)-[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylideneamino]-2-methylfuran-3-carboxamide

N-[(E)-[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylideneamino]-2-methylfuran-3-carboxamide (PubChem CID 135715143) has the molecular formula C14H15N3O4 and a molecular weight of 289.29 g/mol. Its IUPAC name is N-[(E)-[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylideneamino]-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylideneamino]-2-methylfuran-3-carboxamide
PubChem CID135715143
Molecular FormulaC14H15N3O4
Molecular Weight289.29 g/mol
Exact Mass289.11
IUPAC NameN-[(E)-[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylideneamino]-2-methylfuran-3-carboxamide
SMILESCc1ncc(CO)c(/C=N/NC(=O)c2ccoc2C)c1O
InChIInChI=1S/C14H15N3O4/c1-8-13(19)12(10(7-18)5-15-8)6-16-17-14(20)11-3-4-21-9(11)2/h3-6,18-19H,7H2,1-2H3,(H,17,20)/b16-6+
InChIKeyFYFQDGOOPKJLEJ-OMCISZLKSA-N
XLogP1.25
TPSA107.95 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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-[(E)-[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylideneamino]-2-methylfuran-3-carboxamide?
The IUPAC name of N-[(E)-[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylideneamino]-2-methylfuran-3-carboxamide (CID 135715143) is N-[(E)-[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylideneamino]-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-[(E)-[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylideneamino]-2-methylfuran-3-carboxamide?
The canonical SMILES for N-[(E)-[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylideneamino]-2-methylfuran-3-carboxamide is Cc1ncc(CO)c(/C=N/NC(=O)c2ccoc2C)c1O.
What is the InChIKey of N-[(E)-[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylideneamino]-2-methylfuran-3-carboxamide?
The InChIKey is FYFQDGOOPKJLEJ-OMCISZLKSA-N. The full InChI is InChI=1S/C14H15N3O4/c1-8-13(19)12(10(7-18)5-15-8)6-16-17-14(20)11-3-4-21-9(11)2/h3-6,18-19H,7H2,1-2H3,(H,17,20)/b16-6+.
What are the key properties of N-[(E)-[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylideneamino]-2-methylfuran-3-carboxamide?
N-[(E)-[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylideneamino]-2-methylfuran-3-carboxamide has a molecular weight of 289.29 g/mol, XLogP of 1.25, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylideneamino]-2-methylfuran-3-carboxamide is sourced from PubChem (CID 135715143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).