N-[(Z)-pyridin-4-ylmethylideneamino]propanamide

C9H11N3O — CID 29172527

IUPACN-[(Z)-pyridin-4-ylmethylideneamino]propanamide
SMILESCCC(=O)N/N=C\c1ccncc1
InChIInChI=1S/C9H11N3O/c1-2-9(13)12-11-7-8-3-5-10-6-4-8/h3-7H,2H2,1H3,(H,12,13)/b11-7-
InChIKeyVBIATQZFKQHRJN-XFFZJAGNSA-N
MW177.21 g/mol
LogP0.94
Rot. Bonds3

About N-[(Z)-pyridin-4-ylmethylideneamino]propanamide

N-[(Z)-pyridin-4-ylmethylideneamino]propanamide (PubChem CID 29172527) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is N-[(Z)-pyridin-4-ylmethylideneamino]propanamide.

Molecular Properties

Compound NameN-[(Z)-pyridin-4-ylmethylideneamino]propanamide
PubChem CID29172527
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC NameN-[(Z)-pyridin-4-ylmethylideneamino]propanamide
SMILESCCC(=O)N/N=C\c1ccncc1
InChIInChI=1S/C9H11N3O/c1-2-9(13)12-11-7-8-3-5-10-6-4-8/h3-7H,2H2,1H3,(H,12,13)/b11-7-
InChIKeyVBIATQZFKQHRJN-XFFZJAGNSA-N
XLogP0.94
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 50.94
H-Bond Donors ≤ 51
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

N-[(E)-pyridin-4-ylmethylideneamino]hexadecanamide
CID 45055038
2-amino-N-(pyridin-4-ylmethylideneamino)acetamide;hydrochloride
CID 173367886
1-[(Z)-pyridin-4-ylmethylideneamino]-3-[(E)-pyridin-4-ylmethylideneamino]urea
CID 54600785
N-[[4-(trifluoromethyl)phenyl]methylideneamino]propanamide
CID 174961803
ethyl N-[(E)-pyridin-4-ylmethylideneamino]carbamate
CID 5365476
[(E)-pyridin-4-ylmethylideneamino]carbamic acid
CID 19830229
N-[2-oxo-2-[2-(pyridin-4-ylmethylidene)hydrazinyl]ethyl]decanamide
CID 4228313
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]propanamide
CID 22613567
[(E)-pyridin-4-ylmethylideneamino]carbamic acid;hydrate
CID 88512822
2-(4-ethylphenoxy)-N-(pyridin-4-ylmethylideneamino)acetamide
CID 2695082
2-methyl-N-(pyridin-4-ylmethylideneamino)propanamide
CID 54421020
2-pyridin-1-ium-1-yl-N-[(Z)-pyridin-4-ylmethylideneamino]acetamide
CID 6132610

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-pyridin-4-ylmethylideneamino]propanamide?
The IUPAC name of N-[(Z)-pyridin-4-ylmethylideneamino]propanamide (CID 29172527) is N-[(Z)-pyridin-4-ylmethylideneamino]propanamide.
What is the SMILES notation for N-[(Z)-pyridin-4-ylmethylideneamino]propanamide?
The canonical SMILES for N-[(Z)-pyridin-4-ylmethylideneamino]propanamide is CCC(=O)N/N=C\c1ccncc1.
What is the InChIKey of N-[(Z)-pyridin-4-ylmethylideneamino]propanamide?
The InChIKey is VBIATQZFKQHRJN-XFFZJAGNSA-N. The full InChI is InChI=1S/C9H11N3O/c1-2-9(13)12-11-7-8-3-5-10-6-4-8/h3-7H,2H2,1H3,(H,12,13)/b11-7-.
What are the key properties of N-[(Z)-pyridin-4-ylmethylideneamino]propanamide?
N-[(Z)-pyridin-4-ylmethylideneamino]propanamide has a molecular weight of 177.21 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-pyridin-4-ylmethylideneamino]propanamide is sourced from PubChem (CID 29172527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).