[(E)-pyridin-4-ylmethylideneamino]carbamic acid

C7H7N3O2 — CID 19830229

IUPAC[(E)-pyridin-4-ylmethylideneamino]carbamic acid
SMILESO=C(O)N/N=C/c1ccncc1
InChIInChI=1S/C7H7N3O2/c11-7(12)10-9-5-6-1-3-8-4-2-6/h1-5,10H,(H,11,12)/b9-5+
InChIKeyZXHNOESGOUYAOP-WEVVVXLNSA-N
MW165.15 g/mol
LogP0.68
Rot. Bonds2

About [(E)-pyridin-4-ylmethylideneamino]carbamic acid

[(E)-pyridin-4-ylmethylideneamino]carbamic acid (PubChem CID 19830229) has the molecular formula C7H7N3O2 and a molecular weight of 165.15 g/mol. Its IUPAC name is [(E)-pyridin-4-ylmethylideneamino]carbamic acid.

Molecular Properties

Compound Name[(E)-pyridin-4-ylmethylideneamino]carbamic acid
PubChem CID19830229
Molecular FormulaC7H7N3O2
Molecular Weight165.15 g/mol
Exact Mass165.05
IUPAC Name[(E)-pyridin-4-ylmethylideneamino]carbamic acid
SMILESO=C(O)N/N=C/c1ccncc1
InChIInChI=1S/C7H7N3O2/c11-7(12)10-9-5-6-1-3-8-4-2-6/h1-5,10H,(H,11,12)/b9-5+
InChIKeyZXHNOESGOUYAOP-WEVVVXLNSA-N
XLogP0.68
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.15
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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;hydrate
CID 88512822
1-[(Z)-pyridin-4-ylmethylideneamino]-3-[(E)-pyridin-4-ylmethylideneamino]urea
CID 54600785
N-[(Z)-pyridin-4-ylmethylideneamino]propanamide
CID 29172527
2-methyl-N-(pyridin-4-ylmethylideneamino)propanamide
CID 54421020
ethyl N-[(E)-pyridin-4-ylmethylideneamino]carbamate
CID 5365476
N-[[4-[(pyridine-4-carbonylhydrazinylidene)methyl]phenyl]methylideneamino]pyridine-4-carboxamide
CID 1101714
2-amino-N-(pyridin-4-ylmethylideneamino)acetamide;hydrochloride
CID 173367886
phenyl N-(pyridin-4-ylmethylideneamino)carbamate
CID 54502700
1-amino-3-[(E)-pyridin-4-ylmethylideneamino]thiourea
CID 55280342
1-methyl-3-(pyridin-4-ylmethylideneamino)thiourea
CID 4109336
[(E)-pyridin-4-ylmethylideneamino]thiourea
CID 6433252
2-pyridin-1-ium-1-yl-N-[(Z)-pyridin-4-ylmethylideneamino]acetamide
CID 6132610

Frequently Asked Questions

What is the IUPAC name of [(E)-pyridin-4-ylmethylideneamino]carbamic acid?
The IUPAC name of [(E)-pyridin-4-ylmethylideneamino]carbamic acid (CID 19830229) is [(E)-pyridin-4-ylmethylideneamino]carbamic acid.
What is the SMILES notation for [(E)-pyridin-4-ylmethylideneamino]carbamic acid?
The canonical SMILES for [(E)-pyridin-4-ylmethylideneamino]carbamic acid is O=C(O)N/N=C/c1ccncc1.
What is the InChIKey of [(E)-pyridin-4-ylmethylideneamino]carbamic acid?
The InChIKey is ZXHNOESGOUYAOP-WEVVVXLNSA-N. The full InChI is InChI=1S/C7H7N3O2/c11-7(12)10-9-5-6-1-3-8-4-2-6/h1-5,10H,(H,11,12)/b9-5+.
What are the key properties of [(E)-pyridin-4-ylmethylideneamino]carbamic acid?
[(E)-pyridin-4-ylmethylideneamino]carbamic acid has a molecular weight of 165.15 g/mol, XLogP of 0.68, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-pyridin-4-ylmethylideneamino]carbamic acid is sourced from PubChem (CID 19830229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).