2-(3-methylanilino)-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide

C15H16N4O — CID 5399409

IUPAC2-(3-methylanilino)-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide
SMILESCc1cccc(NCC(=O)N/N=C\c2ccccn2)c1
InChIInChI=1S/C15H16N4O/c1-12-5-4-7-13(9-12)17-11-15(20)19-18-10-14-6-2-3-8-16-14/h2-10,17H,11H2,1H3,(H,19,20)/b18-10-
InChIKeyRYBDJJMLNQERKN-ZDLGFXPLSA-N
MW268.32 g/mol
LogP1.95
Rot. Bonds5

About 2-(3-methylanilino)-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide

2-(3-methylanilino)-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide (PubChem CID 5399409) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-(3-methylanilino)-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide.

Molecular Properties

Compound Name2-(3-methylanilino)-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide
PubChem CID5399409
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name2-(3-methylanilino)-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide
SMILESCc1cccc(NCC(=O)N/N=C\c2ccccn2)c1
InChIInChI=1S/C15H16N4O/c1-12-5-4-7-13(9-12)17-11-15(20)19-18-10-14-6-2-3-8-16-14/h2-10,17H,11H2,1H3,(H,19,20)/b18-10-
InChIKeyRYBDJJMLNQERKN-ZDLGFXPLSA-N
XLogP1.95
TPSA66.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.95
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylanilino)-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide?
The IUPAC name of 2-(3-methylanilino)-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide (CID 5399409) is 2-(3-methylanilino)-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide.
What is the SMILES notation for 2-(3-methylanilino)-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide?
The canonical SMILES for 2-(3-methylanilino)-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide is Cc1cccc(NCC(=O)N/N=C\c2ccccn2)c1.
What is the InChIKey of 2-(3-methylanilino)-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide?
The InChIKey is RYBDJJMLNQERKN-ZDLGFXPLSA-N. The full InChI is InChI=1S/C15H16N4O/c1-12-5-4-7-13(9-12)17-11-15(20)19-18-10-14-6-2-3-8-16-14/h2-10,17H,11H2,1H3,(H,19,20)/b18-10-.
What are the key properties of 2-(3-methylanilino)-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide?
2-(3-methylanilino)-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide has a molecular weight of 268.32 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylanilino)-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide is sourced from PubChem (CID 5399409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).