2-(2-methylanilino)-N-[(E)-pyridin-2-ylmethylideneamino]acetamide

C15H16N4O — CID 6872977

IUPAC2-(2-methylanilino)-N-[(E)-pyridin-2-ylmethylideneamino]acetamide
SMILESCc1ccccc1NCC(=O)N/N=C/c1ccccn1
InChIInChI=1S/C15H16N4O/c1-12-6-2-3-8-14(12)17-11-15(20)19-18-10-13-7-4-5-9-16-13/h2-10,17H,11H2,1H3,(H,19,20)/b18-10+
InChIKeyCRVLYWYBEJZZAD-VCHYOVAHSA-N
MW268.32 g/mol
LogP1.95
Rot. Bonds5

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

2-(2-methylanilino)-N-[(E)-pyridin-2-ylmethylideneamino]acetamide (PubChem CID 6872977) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-(2-methylanilino)-N-[(E)-pyridin-2-ylmethylideneamino]acetamide.

Molecular Properties

Compound Name2-(2-methylanilino)-N-[(E)-pyridin-2-ylmethylideneamino]acetamide
PubChem CID6872977
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name2-(2-methylanilino)-N-[(E)-pyridin-2-ylmethylideneamino]acetamide
SMILESCc1ccccc1NCC(=O)N/N=C/c1ccccn1
InChIInChI=1S/C15H16N4O/c1-12-6-2-3-8-14(12)17-11-15(20)19-18-10-13-7-4-5-9-16-13/h2-10,17H,11H2,1H3,(H,19,20)/b18-10+
InChIKeyCRVLYWYBEJZZAD-VCHYOVAHSA-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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Related Compounds

2-(2-methylanilino)-N-[(2-methylphenyl)methylideneamino]acetamide
CID 870845
N-[(3,4-dichlorophenyl)methylideneamino]-2-(2-methylanilino)acetamide
CID 4111290
N,N'-bis[(E)-pyridin-2-ylmethylideneamino]pentanediamide
CID 6874692
2-(2-methylanilino)-N-[(Z)-(1-methylpyrrol-2-yl)methylideneamino]acetamide
CID 5405124
N-[(E)-(4-hydroxy-3,5-diiodophenyl)methylideneamino]-2-(2-methylanilino)acetamide
CID 135939477
N-[(Z)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-(2-methylanilino)acetamide
CID 136908099
N-[(Z)-pyridin-2-ylmethylideneamino]-2-pyridin-2-ylsulfanylacetamide
CID 5424100
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2-(2-methylanilino)acetamide
CID 5414254
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(2-methylanilino)acetamide
CID 135419703
N-[(2-hydroxy-5-iodo-3-methylphenyl)methylideneamino]-2-(2-methylanilino)acetamide
CID 4573308
2-(4-tert-butyl-2-methylphenoxy)-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide
CID 7037195
2-(4-methylpiperazine-1,4-diium-1-yl)-N-[(E)-pyridin-2-ylmethylideneamino]acetamide
CID 6897978

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylanilino)-N-[(E)-pyridin-2-ylmethylideneamino]acetamide?
The IUPAC name of 2-(2-methylanilino)-N-[(E)-pyridin-2-ylmethylideneamino]acetamide (CID 6872977) is 2-(2-methylanilino)-N-[(E)-pyridin-2-ylmethylideneamino]acetamide.
What is the SMILES notation for 2-(2-methylanilino)-N-[(E)-pyridin-2-ylmethylideneamino]acetamide?
The canonical SMILES for 2-(2-methylanilino)-N-[(E)-pyridin-2-ylmethylideneamino]acetamide is Cc1ccccc1NCC(=O)N/N=C/c1ccccn1.
What is the InChIKey of 2-(2-methylanilino)-N-[(E)-pyridin-2-ylmethylideneamino]acetamide?
The InChIKey is CRVLYWYBEJZZAD-VCHYOVAHSA-N. The full InChI is InChI=1S/C15H16N4O/c1-12-6-2-3-8-14(12)17-11-15(20)19-18-10-13-7-4-5-9-16-13/h2-10,17H,11H2,1H3,(H,19,20)/b18-10+.
What are the key properties of 2-(2-methylanilino)-N-[(E)-pyridin-2-ylmethylideneamino]acetamide?
2-(2-methylanilino)-N-[(E)-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-(2-methylanilino)-N-[(E)-pyridin-2-ylmethylideneamino]acetamide is sourced from PubChem (CID 6872977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).