phenyl N-(pyridin-4-ylmethylideneamino)carbamate

C13H11N3O2 — CID 54502700

IUPACphenyl N-(pyridin-4-ylmethylideneamino)carbamate
SMILESO=C(NN=Cc1ccncc1)Oc1ccccc1
InChIInChI=1S/C13H11N3O2/c17-13(18-12-4-2-1-3-5-12)16-15-10-11-6-8-14-9-7-11/h1-10H,(H,16,17)
InChIKeyYDOFBAFASWWEKT-UHFFFAOYSA-N
MW241.25 g/mol
LogP2.20
Rot. Bonds3

About phenyl N-(pyridin-4-ylmethylideneamino)carbamate

phenyl N-(pyridin-4-ylmethylideneamino)carbamate (PubChem CID 54502700) has the molecular formula C13H11N3O2 and a molecular weight of 241.25 g/mol. Its IUPAC name is phenyl N-(pyridin-4-ylmethylideneamino)carbamate.

Molecular Properties

Compound Namephenyl N-(pyridin-4-ylmethylideneamino)carbamate
PubChem CID54502700
Molecular FormulaC13H11N3O2
Molecular Weight241.25 g/mol
Exact Mass241.09
IUPAC Namephenyl N-(pyridin-4-ylmethylideneamino)carbamate
SMILESO=C(NN=Cc1ccncc1)Oc1ccccc1
InChIInChI=1S/C13H11N3O2/c17-13(18-12-4-2-1-3-5-12)16-15-10-11-6-8-14-9-7-11/h1-10H,(H,16,17)
InChIKeyYDOFBAFASWWEKT-UHFFFAOYSA-N
XLogP2.20
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

2-phenoxy-N-(pyridin-4-ylmethylideneamino)acetamide
CID 3543877
[(E)-pyridin-4-ylmethylideneamino]carbamic acid
CID 19830229
N-(4-phenoxyphenyl)-N'-[(Z)-pyridin-4-ylmethylideneamino]oxamide
CID 94833523
[(E)-pyridin-4-ylmethylideneamino]carbamic acid;hydrate
CID 88512822
1-[(Z)-pyridin-4-ylmethylideneamino]-3-[(E)-pyridin-4-ylmethylideneamino]urea
CID 54600785
ethyl N-[(E)-pyridin-4-ylmethylideneamino]carbamate
CID 5365476
1-[(E)-benzylideneamino]-3-pyridin-4-ylurea
CID 10243365
[4-[(Z)-(pyridine-3-carbonylhydrazinylidene)methyl]phenyl] benzoate
CID 5369591
methyl 2-[(E)-(phenoxycarbonylhydrazinylidene)methyl]benzoate
CID 134847140
phenyl N-[(1-methylpyrrol-2-yl)methylideneamino]carbamate
CID 123762315
2-methyl-N-(pyridin-4-ylmethylideneamino)propanamide
CID 54421020
N-[(Z)-pyridin-4-ylmethylideneamino]propanamide
CID 29172527

Frequently Asked Questions

What is the IUPAC name of phenyl N-(pyridin-4-ylmethylideneamino)carbamate?
The IUPAC name of phenyl N-(pyridin-4-ylmethylideneamino)carbamate (CID 54502700) is phenyl N-(pyridin-4-ylmethylideneamino)carbamate.
What is the SMILES notation for phenyl N-(pyridin-4-ylmethylideneamino)carbamate?
The canonical SMILES for phenyl N-(pyridin-4-ylmethylideneamino)carbamate is O=C(NN=Cc1ccncc1)Oc1ccccc1.
What is the InChIKey of phenyl N-(pyridin-4-ylmethylideneamino)carbamate?
The InChIKey is YDOFBAFASWWEKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2/c17-13(18-12-4-2-1-3-5-12)16-15-10-11-6-8-14-9-7-11/h1-10H,(H,16,17).
What are the key properties of phenyl N-(pyridin-4-ylmethylideneamino)carbamate?
phenyl N-(pyridin-4-ylmethylideneamino)carbamate has a molecular weight of 241.25 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-(pyridin-4-ylmethylideneamino)carbamate is sourced from PubChem (CID 54502700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).