(2R)-2-(2-methylanilino)-N-[(Z)-(6-methyl-2-pyridinyl)methylideneamino]propanamide

C17H20N4O — CID 5403196

IUPAC(2R)-2-(2-methylanilino)-N-[(Z)-(6-methyl-2-pyridinyl)methylideneamino]propanamide
SMILESCc1cccc(/C=N\NC(=O)[C@@H](C)Nc2ccccc2C)n1
InChIInChI=1S/C17H20N4O/c1-12-7-4-5-10-16(12)20-14(3)17(22)21-18-11-15-9-6-8-13(2)19-15/h4-11,14,20H,1-3H3,(H,21,22)/b18-11-/t14-/m1/s1
InChIKeyYLPLYCUDPAKCML-JVVDOCDTSA-N
MW296.37 g/mol
LogP2.65
Rot. Bonds5

About (2R)-2-(2-methylanilino)-N-[(Z)-(6-methyl-2-pyridinyl)methylideneamino]propanamide

(2R)-2-(2-methylanilino)-N-[(Z)-(6-methyl-2-pyridinyl)methylideneamino]propanamide (PubChem CID 5403196) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is (2R)-2-(2-methylanilino)-N-[(Z)-(6-methyl-2-pyridinyl)methylideneamino]propanamide.

Molecular Properties

Compound Name(2R)-2-(2-methylanilino)-N-[(Z)-(6-methyl-2-pyridinyl)methylideneamino]propanamide
PubChem CID5403196
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name(2R)-2-(2-methylanilino)-N-[(Z)-(6-methyl-2-pyridinyl)methylideneamino]propanamide
SMILESCc1cccc(/C=N\NC(=O)[C@@H](C)Nc2ccccc2C)n1
InChIInChI=1S/C17H20N4O/c1-12-7-4-5-10-16(12)20-14(3)17(22)21-18-11-15-9-6-8-13(2)19-15/h4-11,14,20H,1-3H3,(H,21,22)/b18-11-/t14-/m1/s1
InChIKeyYLPLYCUDPAKCML-JVVDOCDTSA-N
XLogP2.65
TPSA66.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.65
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'}

Analyze (2R)-2-(2-methylanilino)-N-[(Z)-(6-methyl-2-pyridinyl)methylideneamino]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-hydroxy-N-[(Z)-(6-methyl-2-pyridinyl)methylideneamino]-2-phenylacetamide
CID 94849044
2-(2-methylanilino)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]propanamide
CID 6178020
(2S)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(2-methylanilino)propanamide
CID 136851955
N-[(E)-(6-methyl-2-pyridinyl)methylideneamino]benzamide
CID 14987546
N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2-(2-methylanilino)propanamide
CID 135606040
N,N'-bis[(Z)-(6-methyl-2-pyridinyl)methylideneamino]butanediamide
CID 6371795
N-(1,3-benzodioxol-5-ylmethylideneamino)-2-(2-methylanilino)propanamide
CID 5056114
N-[(6-methyl-2-pyridinyl)methylideneamino]butanamide
CID 86152430
(2R)-2-(2,6-dimethylanilino)-N-[(E)-(4-hydroxyphenyl)methylideneamino]propanamide
CID 135850815
2-(2-methylanilino)propanehydrazide
CID 23833506
N-[(4-chlorophenyl)methylideneamino]-2-(2,6-dimethylanilino)propanamide
CID 3089265
[(6-methyl-2-pyridinyl)methylideneamino]thiourea
CID 5042042

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-methylanilino)-N-[(Z)-(6-methyl-2-pyridinyl)methylideneamino]propanamide?
The IUPAC name of (2R)-2-(2-methylanilino)-N-[(Z)-(6-methyl-2-pyridinyl)methylideneamino]propanamide (CID 5403196) is (2R)-2-(2-methylanilino)-N-[(Z)-(6-methyl-2-pyridinyl)methylideneamino]propanamide.
What is the SMILES notation for (2R)-2-(2-methylanilino)-N-[(Z)-(6-methyl-2-pyridinyl)methylideneamino]propanamide?
The canonical SMILES for (2R)-2-(2-methylanilino)-N-[(Z)-(6-methyl-2-pyridinyl)methylideneamino]propanamide is Cc1cccc(/C=N\NC(=O)[C@@H](C)Nc2ccccc2C)n1.
What is the InChIKey of (2R)-2-(2-methylanilino)-N-[(Z)-(6-methyl-2-pyridinyl)methylideneamino]propanamide?
The InChIKey is YLPLYCUDPAKCML-JVVDOCDTSA-N. The full InChI is InChI=1S/C17H20N4O/c1-12-7-4-5-10-16(12)20-14(3)17(22)21-18-11-15-9-6-8-13(2)19-15/h4-11,14,20H,1-3H3,(H,21,22)/b18-11-/t14-/m1/s1.
What are the key properties of (2R)-2-(2-methylanilino)-N-[(Z)-(6-methyl-2-pyridinyl)methylideneamino]propanamide?
(2R)-2-(2-methylanilino)-N-[(Z)-(6-methyl-2-pyridinyl)methylideneamino]propanamide has a molecular weight of 296.37 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-methylanilino)-N-[(Z)-(6-methyl-2-pyridinyl)methylideneamino]propanamide is sourced from PubChem (CID 5403196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).