N-[(Z)-1-[5-[(1R,2S,3R)-1,2,3,4-tetrahydroxybutyl]-1H-imidazol-2-yl]ethylideneamino]pyridine-4-carboxamide

C15H19N5O5 — CID 135797438

About N-[(Z)-1-[5-[(1R,2S,3R)-1,2,3,4-tetrahydroxybutyl]-1H-imidazol-2-yl]ethylideneamino]pyridine-4-carboxamide

N-[(Z)-1-[5-[(1R,2S,3R)-1,2,3,4-tetrahydroxybutyl]-1H-imidazol-2-yl]ethylideneamino]pyridine-4-carboxamide (PubChem CID 135797438) has the molecular formula C15H19N5O5 and a molecular weight of 349.35 g/mol. Its IUPAC name is N-[(Z)-1-[5-[(1R,2S,3R)-1,2,3,4-tetrahydroxybutyl]-1H-imidazol-2-yl]ethylideneamino]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[(Z)-1-[5-[(1R,2S,3R)-1,2,3,4-tetrahydroxybutyl]-1H-imidazol-2-yl]ethylideneamino]pyridine-4-carboxamide
• PubChem CID: 135797438
• Molecular Formula: C15H19N5O5
• Molecular Weight: 349.35 g/mol
• Exact Mass: 349.14
• IUPAC Name: N-[(Z)-1-[5-[(1R,2S,3R)-1,2,3,4-tetrahydroxybutyl]-1H-imidazol-2-yl]ethylideneamino]pyridine-4-carboxamide
• SMILES: C/C(=N/NC(=O)c1ccncc1)c1ncc([C@@H](O)[C@H](O)[C@H](O)CO)[nH]1
• InChI: InChI=1S/C15H19N5O5/c1-8(19-20-15(25)9-2-4-16-5-3-9)14-17-6-10(18-14)12(23)13(24)11(22)7-21/h2-6,11-13,21-24H,7H2,1H3,(H,17,18)(H,20,25)/b19-8-/t11-,12-,13-/m1/s1
• InChIKey: LRDOYXUZHLWGHD-YHQUHOJOSA-N
• XLogP: -1.29
• TPSA: 163.95 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	349.35
LogP ≤ 5	-1.29
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-[5-[(1R,2S,3R)-1,2,3,4-tetrahydroxybutyl]-1H-imidazol-2-yl]ethylideneamino]pyridine-4-carboxamide?

The IUPAC name of N-[(Z)-1-[5-[(1R,2S,3R)-1,2,3,4-tetrahydroxybutyl]-1H-imidazol-2-yl]ethylideneamino]pyridine-4-carboxamide (CID 135797438) is N-[(Z)-1-[5-[(1R,2S,3R)-1,2,3,4-tetrahydroxybutyl]-1H-imidazol-2-yl]ethylideneamino]pyridine-4-carboxamide.

What is the SMILES notation for N-[(Z)-1-[5-[(1R,2S,3R)-1,2,3,4-tetrahydroxybutyl]-1H-imidazol-2-yl]ethylideneamino]pyridine-4-carboxamide?

The canonical SMILES for N-[(Z)-1-[5-[(1R,2S,3R)-1,2,3,4-tetrahydroxybutyl]-1H-imidazol-2-yl]ethylideneamino]pyridine-4-carboxamide is C/C(=N/NC(=O)c1ccncc1)c1ncc([C@@H](O)[C@H](O)[C@H](O)CO)[nH]1.

What is the InChIKey of N-[(Z)-1-[5-[(1R,2S,3R)-1,2,3,4-tetrahydroxybutyl]-1H-imidazol-2-yl]ethylideneamino]pyridine-4-carboxamide?

The InChIKey is LRDOYXUZHLWGHD-YHQUHOJOSA-N. The full InChI is InChI=1S/C15H19N5O5/c1-8(19-20-15(25)9-2-4-16-5-3-9)14-17-6-10(18-14)12(23)13(24)11(22)7-21/h2-6,11-13,21-24H,7H2,1H3,(H,17,18)(H,20,25)/b19-8-/t11-,12-,13-/m1/s1.

What are the key properties of N-[(Z)-1-[5-[(1R,2S,3R)-1,2,3,4-tetrahydroxybutyl]-1H-imidazol-2-yl]ethylideneamino]pyridine-4-carboxamide?

N-[(Z)-1-[5-[(1R,2S,3R)-1,2,3,4-tetrahydroxybutyl]-1H-imidazol-2-yl]ethylideneamino]pyridine-4-carboxamide has a molecular weight of 349.35 g/mol, XLogP of -1.29, 7 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(Z)-1-[5-[(1R,2S,3R)-1,2,3,4-tetrahydroxybutyl]-1H-imidazol-2-yl]ethylideneamino]pyridine-4-carboxamide is sourced from PubChem (CID 135797438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).