N-[(E)-1-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)ethylideneamino]pyridine-4-carboxamide

C14H15N5O4 — CID 135548606

IUPACN-[(E)-1-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)ethylideneamino]pyridine-4-carboxamide
SMILESC/C(=N\NC(=O)c1ccncc1)c1c(O)n(C)c(=O)n(C)c1=O
InChIInChI=1S/C14H15N5O4/c1-8(16-17-11(20)9-4-6-15-7-5-9)10-12(21)18(2)14(23)19(3)13(10)22/h4-7,21H,1-3H3,(H,17,20)/b16-8+
InChIKeyQPUVUFHFBJHANC-LZYBPNLTSA-N
MW317.31 g/mol
LogP-0.66
Rot. Bonds3

About N-[(E)-1-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)ethylideneamino]pyridine-4-carboxamide

N-[(E)-1-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)ethylideneamino]pyridine-4-carboxamide (PubChem CID 135548606) has the molecular formula C14H15N5O4 and a molecular weight of 317.31 g/mol. Its IUPAC name is N-[(E)-1-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)ethylideneamino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-1-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)ethylideneamino]pyridine-4-carboxamide
PubChem CID135548606
Molecular FormulaC14H15N5O4
Molecular Weight317.31 g/mol
Exact Mass317.11
IUPAC NameN-[(E)-1-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)ethylideneamino]pyridine-4-carboxamide
SMILESC/C(=N\NC(=O)c1ccncc1)c1c(O)n(C)c(=O)n(C)c1=O
InChIInChI=1S/C14H15N5O4/c1-8(16-17-11(20)9-4-6-15-7-5-9)10-12(21)18(2)14(23)19(3)13(10)22/h4-7,21H,1-3H3,(H,17,20)/b16-8+
InChIKeyQPUVUFHFBJHANC-LZYBPNLTSA-N
XLogP-0.66
TPSA118.58 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.31
LogP ≤ 5-0.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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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Related Compounds

N'-Cyclohexylideneisonicotinohydrazide
CID 27256
4-Pyridinecarboxylic acid, 2-(4-methylcyclohexylidene)hydrazide
CID 203870
Crotoniazide
CID 5369886
N'-(propan-2-ylidene)isonicotinohydrazide
CID 72487
4-Pyridinecarboxylic acid, 2-cyclopentylidenehydrazide
CID 199574
(2E)-2-(pyridine-4-carbonylhydrazinylidene)propanoic acid
CID 5359563
Crotonaldehyde isonicotinic acid hydrazone
CID 5717190
Acetaldehyde isonicotinoyl hydrazone
CID 9574229
N-[(E)-heptylideneamino]pyridine-4-carboxamide
CID 9574838
N'-(1-Methyl-3-phenyl-2-propenylidene)isonicotinohydrazide
CID 5334283
N-(pentan-3-ylideneamino)pyridine-4-carboxamide
CID 5012089
1-(4-Pyridoyl)-4-methylsemicarbazide
CID 12795759

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)ethylideneamino]pyridine-4-carboxamide?
The IUPAC name of N-[(E)-1-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)ethylideneamino]pyridine-4-carboxamide (CID 135548606) is N-[(E)-1-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)ethylideneamino]pyridine-4-carboxamide.
What is the SMILES notation for N-[(E)-1-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)ethylideneamino]pyridine-4-carboxamide?
The canonical SMILES for N-[(E)-1-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)ethylideneamino]pyridine-4-carboxamide is C/C(=N\NC(=O)c1ccncc1)c1c(O)n(C)c(=O)n(C)c1=O.
What is the InChIKey of N-[(E)-1-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)ethylideneamino]pyridine-4-carboxamide?
The InChIKey is QPUVUFHFBJHANC-LZYBPNLTSA-N. The full InChI is InChI=1S/C14H15N5O4/c1-8(16-17-11(20)9-4-6-15-7-5-9)10-12(21)18(2)14(23)19(3)13(10)22/h4-7,21H,1-3H3,(H,17,20)/b16-8+.
What are the key properties of N-[(E)-1-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)ethylideneamino]pyridine-4-carboxamide?
N-[(E)-1-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)ethylideneamino]pyridine-4-carboxamide has a molecular weight of 317.31 g/mol, XLogP of -0.66, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)ethylideneamino]pyridine-4-carboxamide is sourced from PubChem (CID 135548606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).