N-[(E)-1-(6-methyl-2-oxo-1H-pyrimidin-5-yl)ethylideneamino]pyridine-4-carboxamide

C13H13N5O2 — CID 135405752

IUPACN-[(E)-1-(6-methyl-2-oxo-1H-pyrimidin-5-yl)ethylideneamino]pyridine-4-carboxamide
SMILESC/C(=N\NC(=O)c1ccncc1)c1cnc(=O)[nH]c1C
InChIInChI=1S/C13H13N5O2/c1-8-11(7-15-13(20)16-8)9(2)17-18-12(19)10-3-5-14-6-4-10/h3-7H,1-2H3,(H,18,19)(H,15,16,20)/b17-9+
InChIKeyCJTKHFMELLVPCY-RQZCQDPDSA-N
MW271.28 g/mol
LogP0.63
Rot. Bonds3

About N-[(E)-1-(6-methyl-2-oxo-1H-pyrimidin-5-yl)ethylideneamino]pyridine-4-carboxamide

N-[(E)-1-(6-methyl-2-oxo-1H-pyrimidin-5-yl)ethylideneamino]pyridine-4-carboxamide (PubChem CID 135405752) has the molecular formula C13H13N5O2 and a molecular weight of 271.28 g/mol. Its IUPAC name is N-[(E)-1-(6-methyl-2-oxo-1H-pyrimidin-5-yl)ethylideneamino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-1-(6-methyl-2-oxo-1H-pyrimidin-5-yl)ethylideneamino]pyridine-4-carboxamide
PubChem CID135405752
Molecular FormulaC13H13N5O2
Molecular Weight271.28 g/mol
Exact Mass271.11
IUPAC NameN-[(E)-1-(6-methyl-2-oxo-1H-pyrimidin-5-yl)ethylideneamino]pyridine-4-carboxamide
SMILESC/C(=N\NC(=O)c1ccncc1)c1cnc(=O)[nH]c1C
InChIInChI=1S/C13H13N5O2/c1-8-11(7-15-13(20)16-8)9(2)17-18-12(19)10-3-5-14-6-4-10/h3-7H,1-2H3,(H,18,19)(H,15,16,20)/b17-9+
InChIKeyCJTKHFMELLVPCY-RQZCQDPDSA-N
XLogP0.63
TPSA100.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[(E)-1-(6-methyl-2-oxo-1H-pyrimidin-5-yl)ethylideneamino]pyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(E)-1-pyridin-4-ylethylideneamino]pyridine-4-carboxamide
CID 5402716
N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]pyridine-4-carboxamide
CID 135614486
2-[(Z)-C-methyl-N-(pyridine-4-carbonylamino)carbonimidoyl]benzoate
CID 7434547
N-[(Z)-1-quinoxalin-2-ylethylideneamino]pyridine-4-carboxamide
CID 26974464
N-[(Z)-1-(2-methoxyphenyl)ethylideneamino]pyridine-4-carboxamide
CID 7937174
N-[(E)-1-(2,4-dichlorophenyl)ethylideneamino]pyridine-4-carboxamide
CID 6941499
N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]pyridine-4-carboxamide
CID 5394794
N-[(Z)-1-[2-(2-amino-2-oxoethoxy)phenyl]ethylideneamino]pyridine-4-carboxamide
CID 6302652
N-[(E)-1-[4-[(4-fluorobenzoyl)amino]phenyl]ethylideneamino]pyridine-4-carboxamide
CID 25237502
N-[(Z)-1-[4-[(4-fluorobenzoyl)amino]phenyl]ethylideneamino]pyridine-4-carboxamide
CID 39818795
chloronickel;N-[1-[6-[C-methyl-N-(pyridine-4-carbonylamino)carbonimidoyl]-2-pyridinyl]ethylideneamino]pyridine-4-carboxamide
CID 50912725
N-[(Z)-1-[5-[(1R,2S,3R)-1,2,3,4-tetrahydroxybutyl]-1H-imidazol-2-yl]ethylideneamino]pyridine-4-carboxamide
CID 135797438

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(6-methyl-2-oxo-1H-pyrimidin-5-yl)ethylideneamino]pyridine-4-carboxamide?
The IUPAC name of N-[(E)-1-(6-methyl-2-oxo-1H-pyrimidin-5-yl)ethylideneamino]pyridine-4-carboxamide (CID 135405752) is N-[(E)-1-(6-methyl-2-oxo-1H-pyrimidin-5-yl)ethylideneamino]pyridine-4-carboxamide.
What is the SMILES notation for N-[(E)-1-(6-methyl-2-oxo-1H-pyrimidin-5-yl)ethylideneamino]pyridine-4-carboxamide?
The canonical SMILES for N-[(E)-1-(6-methyl-2-oxo-1H-pyrimidin-5-yl)ethylideneamino]pyridine-4-carboxamide is C/C(=N\NC(=O)c1ccncc1)c1cnc(=O)[nH]c1C.
What is the InChIKey of N-[(E)-1-(6-methyl-2-oxo-1H-pyrimidin-5-yl)ethylideneamino]pyridine-4-carboxamide?
The InChIKey is CJTKHFMELLVPCY-RQZCQDPDSA-N. The full InChI is InChI=1S/C13H13N5O2/c1-8-11(7-15-13(20)16-8)9(2)17-18-12(19)10-3-5-14-6-4-10/h3-7H,1-2H3,(H,18,19)(H,15,16,20)/b17-9+.
What are the key properties of N-[(E)-1-(6-methyl-2-oxo-1H-pyrimidin-5-yl)ethylideneamino]pyridine-4-carboxamide?
N-[(E)-1-(6-methyl-2-oxo-1H-pyrimidin-5-yl)ethylideneamino]pyridine-4-carboxamide has a molecular weight of 271.28 g/mol, XLogP of 0.63, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(6-methyl-2-oxo-1H-pyrimidin-5-yl)ethylideneamino]pyridine-4-carboxamide is sourced from PubChem (CID 135405752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).