1-[(Z)-pyridin-4-ylmethylideneamino]-3-[(E)-pyridin-4-ylmethylideneamino]urea

C13H12N6O — CID 54600785

IUPAC1-[(Z)-pyridin-4-ylmethylideneamino]-3-[(E)-pyridin-4-ylmethylideneamino]urea
SMILESO=C(N/N=C\c1ccncc1)N/N=C/c1ccncc1
InChIInChI=1S/C13H12N6O/c20-13(18-16-9-11-1-5-14-6-2-11)19-17-10-12-3-7-15-8-4-12/h1-10H,(H2,18,19,20)/b16-9-,17-10+
InChIKeyXZFTUUGVGRPZTJ-ZAGBYUSBSA-N
MW268.28 g/mol
LogP1.14
Rot. Bonds4

About 1-[(Z)-pyridin-4-ylmethylideneamino]-3-[(E)-pyridin-4-ylmethylideneamino]urea

1-[(Z)-pyridin-4-ylmethylideneamino]-3-[(E)-pyridin-4-ylmethylideneamino]urea (PubChem CID 54600785) has the molecular formula C13H12N6O and a molecular weight of 268.28 g/mol. Its IUPAC name is 1-[(Z)-pyridin-4-ylmethylideneamino]-3-[(E)-pyridin-4-ylmethylideneamino]urea.

Molecular Properties

Compound Name1-[(Z)-pyridin-4-ylmethylideneamino]-3-[(E)-pyridin-4-ylmethylideneamino]urea
PubChem CID54600785
Molecular FormulaC13H12N6O
Molecular Weight268.28 g/mol
Exact Mass268.11
IUPAC Name1-[(Z)-pyridin-4-ylmethylideneamino]-3-[(E)-pyridin-4-ylmethylideneamino]urea
SMILESO=C(N/N=C\c1ccncc1)N/N=C/c1ccncc1
InChIInChI=1S/C13H12N6O/c20-13(18-16-9-11-1-5-14-6-2-11)19-17-10-12-3-7-15-8-4-12/h1-10H,(H2,18,19,20)/b16-9-,17-10+
InChIKeyXZFTUUGVGRPZTJ-ZAGBYUSBSA-N
XLogP1.14
TPSA91.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.14
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'}

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Related Compounds

[(E)-pyridin-4-ylmethylideneamino]carbamic acid
CID 19830229
[(E)-pyridin-4-ylmethylideneamino]carbamic acid;hydrate
CID 88512822
2-methyl-N-(pyridin-4-ylmethylideneamino)propanamide
CID 54421020
N-[(Z)-pyridin-4-ylmethylideneamino]propanamide
CID 29172527
1-[(E)-benzylideneamino]-3-pyridin-4-ylurea
CID 10243365
1-cyclohexyl-3-(pyridin-4-ylmethylideneamino)urea
CID 2407544
N-[[4-[(pyridine-4-carbonylhydrazinylidene)methyl]phenyl]methylideneamino]pyridine-4-carboxamide
CID 1101714
2-amino-N-(pyridin-4-ylmethylideneamino)acetamide;hydrochloride
CID 173367886
N-(pyridin-4-ylmethylideneamino)furan-2-carboxamide
CID 678532
1-[(Z)-(4-hydroxyphenyl)methylideneamino]-3-[(E)-(4-hydroxyphenyl)methylideneamino]urea
CID 135408538
[(E)-pyridin-4-ylmethylideneamino]thiourea
CID 6433252
4-amino-N-[(Z)-pyridin-4-ylmethylideneamino]benzamide
CID 5391862

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-pyridin-4-ylmethylideneamino]-3-[(E)-pyridin-4-ylmethylideneamino]urea?
The IUPAC name of 1-[(Z)-pyridin-4-ylmethylideneamino]-3-[(E)-pyridin-4-ylmethylideneamino]urea (CID 54600785) is 1-[(Z)-pyridin-4-ylmethylideneamino]-3-[(E)-pyridin-4-ylmethylideneamino]urea.
What is the SMILES notation for 1-[(Z)-pyridin-4-ylmethylideneamino]-3-[(E)-pyridin-4-ylmethylideneamino]urea?
The canonical SMILES for 1-[(Z)-pyridin-4-ylmethylideneamino]-3-[(E)-pyridin-4-ylmethylideneamino]urea is O=C(N/N=C\c1ccncc1)N/N=C/c1ccncc1.
What is the InChIKey of 1-[(Z)-pyridin-4-ylmethylideneamino]-3-[(E)-pyridin-4-ylmethylideneamino]urea?
The InChIKey is XZFTUUGVGRPZTJ-ZAGBYUSBSA-N. The full InChI is InChI=1S/C13H12N6O/c20-13(18-16-9-11-1-5-14-6-2-11)19-17-10-12-3-7-15-8-4-12/h1-10H,(H2,18,19,20)/b16-9-,17-10+.
What are the key properties of 1-[(Z)-pyridin-4-ylmethylideneamino]-3-[(E)-pyridin-4-ylmethylideneamino]urea?
1-[(Z)-pyridin-4-ylmethylideneamino]-3-[(E)-pyridin-4-ylmethylideneamino]urea has a molecular weight of 268.28 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-pyridin-4-ylmethylideneamino]-3-[(E)-pyridin-4-ylmethylideneamino]urea is sourced from PubChem (CID 54600785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).