3-(3-methylanilino)-N-(pyridin-2-ylmethylideneamino)propanamide

C16H18N4O — CID 123310795

IUPAC3-(3-methylanilino)-N-(pyridin-2-ylmethylideneamino)propanamide
SMILESCc1cccc(NCCC(=O)NN=Cc2ccccn2)c1
InChIInChI=1S/C16H18N4O/c1-13-5-4-7-14(11-13)18-10-8-16(21)20-19-12-15-6-2-3-9-17-15/h2-7,9,11-12,18H,8,10H2,1H3,(H,20,21)
InChIKeyAVUSTMWCVOHJFE-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.34
Rot. Bonds6

About 3-(3-methylanilino)-N-(pyridin-2-ylmethylideneamino)propanamide

3-(3-methylanilino)-N-(pyridin-2-ylmethylideneamino)propanamide (PubChem CID 123310795) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 3-(3-methylanilino)-N-(pyridin-2-ylmethylideneamino)propanamide.

Molecular Properties

Compound Name3-(3-methylanilino)-N-(pyridin-2-ylmethylideneamino)propanamide
PubChem CID123310795
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name3-(3-methylanilino)-N-(pyridin-2-ylmethylideneamino)propanamide
SMILESCc1cccc(NCCC(=O)NN=Cc2ccccn2)c1
InChIInChI=1S/C16H18N4O/c1-13-5-4-7-14(11-13)18-10-8-16(21)20-19-12-15-6-2-3-9-17-15/h2-7,9,11-12,18H,8,10H2,1H3,(H,20,21)
InChIKeyAVUSTMWCVOHJFE-UHFFFAOYSA-N
XLogP2.34
TPSA66.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.34
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

N,N'-bis[(E)-pyridin-2-ylmethylideneamino]pentanediamide
CID 6874692
4-(3-methylanilino)-N-[(E)-pyridin-3-ylmethylideneamino]butanamide
CID 6898309
3-(4-methylphenyl)sulfanyl-N-[(Z)-pyridin-2-ylmethylideneamino]propanamide
CID 126151317
3-phenyl-N-[(Z)-pyridin-2-ylmethylideneamino]propanamide
CID 6138310
2-(2-methylanilino)-N-[(E)-pyridin-2-ylmethylideneamino]acetamide
CID 6872977
3-(3-methylanilino)-N-(2-methylphenyl)propanamide
CID 109033964
N-(2-bromophenyl)-3-(3-methylanilino)propanamide
CID 109034300
2-(3-bromophenoxy)-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide
CID 5391030
N'-[(2-hydroxyphenyl)methylideneamino]-N-(3-methylphenyl)butanediamide
CID 3656052
3-(3,6-diiodocarbazol-9-yl)-N-(pyridin-2-ylmethylideneamino)propanamide
CID 4681398
N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-2-(3-methylanilino)acetamide
CID 135420053
3-(4-chlorophenyl)sulfanyl-N-(pyridin-2-ylmethylideneamino)propanamide
CID 958832

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylanilino)-N-(pyridin-2-ylmethylideneamino)propanamide?
The IUPAC name of 3-(3-methylanilino)-N-(pyridin-2-ylmethylideneamino)propanamide (CID 123310795) is 3-(3-methylanilino)-N-(pyridin-2-ylmethylideneamino)propanamide.
What is the SMILES notation for 3-(3-methylanilino)-N-(pyridin-2-ylmethylideneamino)propanamide?
The canonical SMILES for 3-(3-methylanilino)-N-(pyridin-2-ylmethylideneamino)propanamide is Cc1cccc(NCCC(=O)NN=Cc2ccccn2)c1.
What is the InChIKey of 3-(3-methylanilino)-N-(pyridin-2-ylmethylideneamino)propanamide?
The InChIKey is AVUSTMWCVOHJFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-13-5-4-7-14(11-13)18-10-8-16(21)20-19-12-15-6-2-3-9-17-15/h2-7,9,11-12,18H,8,10H2,1H3,(H,20,21).
What are the key properties of 3-(3-methylanilino)-N-(pyridin-2-ylmethylideneamino)propanamide?
3-(3-methylanilino)-N-(pyridin-2-ylmethylideneamino)propanamide has a molecular weight of 282.35 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylanilino)-N-(pyridin-2-ylmethylideneamino)propanamide is sourced from PubChem (CID 123310795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).