N-[(Z)-(4-pyridin-2-ylphenyl)methylideneamino]acetamide

C14H13N3O — CID 54182918

IUPACN-[(Z)-(4-pyridin-2-ylphenyl)methylideneamino]acetamide
SMILESCC(=O)N/N=C\c1ccc(-c2ccccn2)cc1
InChIInChI=1S/C14H13N3O/c1-11(18)17-16-10-12-5-7-13(8-6-12)14-4-2-3-9-15-14/h2-10H,1H3,(H,17,18)/b16-10-
InChIKeyPDCLVQHGPZKYMN-YBEGLDIGSA-N
MW239.28 g/mol
LogP2.22
Rot. Bonds3

About N-[(Z)-(4-pyridin-2-ylphenyl)methylideneamino]acetamide

N-[(Z)-(4-pyridin-2-ylphenyl)methylideneamino]acetamide (PubChem CID 54182918) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is N-[(Z)-(4-pyridin-2-ylphenyl)methylideneamino]acetamide.

Molecular Properties

Compound NameN-[(Z)-(4-pyridin-2-ylphenyl)methylideneamino]acetamide
PubChem CID54182918
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC NameN-[(Z)-(4-pyridin-2-ylphenyl)methylideneamino]acetamide
SMILESCC(=O)N/N=C\c1ccc(-c2ccccn2)cc1
InChIInChI=1S/C14H13N3O/c1-11(18)17-16-10-12-5-7-13(8-6-12)14-4-2-3-9-15-14/h2-10H,1H3,(H,17,18)/b16-10-
InChIKeyPDCLVQHGPZKYMN-YBEGLDIGSA-N
XLogP2.22
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.22
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

[(2S)-3,3-dimethyl-1-oxo-1-[(2E)-2-[(4-pyridin-2-ylphenyl)methylidene]hydrazinyl]butan-2-yl]carbamic acid
CID 87540504
methyl N-[(2S)-3,3-dimethyl-1-oxo-1-[(2E)-2-[(4-pyridin-2-ylphenyl)methylidene]hydrazinyl]butan-2-yl]carbamate;(E)-(4-pyridin-2-ylphenyl)methylidenehydrazine
CID 172958287
(4-pyridin-2-ylphenyl)methylidenehydrazine
CID 67924513
2-phenylpyridine;propan-2-one
CID 174845023
N-[(4-aminophenyl)methylideneamino]acetamide
CID 123694049
N-[(E)-(2-fluoro-3-pyridinyl)methylideneamino]acetamide
CID 87802277
N-[(Z)-[4-(4-methylphenyl)sulfanylphenyl]methylideneamino]acetamide
CID 126249111
N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]acetamide;hydrate
CID 139076968
N-propan-2-yl-4-pyridin-2-ylbenzamide
CID 59672619
2-methyl-N-(4-pyridin-2-ylphenyl)propanamide
CID 110459868
N-[(Z)-[3,4-bis(phenylmethoxy)phenyl]methylideneamino]acetamide
CID 6117131
N-(4-pyridin-2-ylphenyl)pyridine-2-carboxamide
CID 110461625

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(4-pyridin-2-ylphenyl)methylideneamino]acetamide?
The IUPAC name of N-[(Z)-(4-pyridin-2-ylphenyl)methylideneamino]acetamide (CID 54182918) is N-[(Z)-(4-pyridin-2-ylphenyl)methylideneamino]acetamide.
What is the SMILES notation for N-[(Z)-(4-pyridin-2-ylphenyl)methylideneamino]acetamide?
The canonical SMILES for N-[(Z)-(4-pyridin-2-ylphenyl)methylideneamino]acetamide is CC(=O)N/N=C\c1ccc(-c2ccccn2)cc1.
What is the InChIKey of N-[(Z)-(4-pyridin-2-ylphenyl)methylideneamino]acetamide?
The InChIKey is PDCLVQHGPZKYMN-YBEGLDIGSA-N. The full InChI is InChI=1S/C14H13N3O/c1-11(18)17-16-10-12-5-7-13(8-6-12)14-4-2-3-9-15-14/h2-10H,1H3,(H,17,18)/b16-10-.
What are the key properties of N-[(Z)-(4-pyridin-2-ylphenyl)methylideneamino]acetamide?
N-[(Z)-(4-pyridin-2-ylphenyl)methylideneamino]acetamide has a molecular weight of 239.28 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(4-pyridin-2-ylphenyl)methylideneamino]acetamide is sourced from PubChem (CID 54182918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).