(2S)-2-(4-methylphenoxy)-N-(pyridin-2-ylmethylideneamino)propanamide

C16H17N3O2 — CID 706969

IUPAC(2S)-2-(4-methylphenoxy)-N-(pyridin-2-ylmethylideneamino)propanamide
SMILESCc1ccc(O[C@@H](C)C(=O)NN=Cc2ccccn2)cc1
InChIInChI=1S/C16H17N3O2/c1-12-6-8-15(9-7-12)21-13(2)16(20)19-18-11-14-5-3-4-10-17-14/h3-11,13H,1-2H3,(H,19,20)/t13-/m0/s1
InChIKeyQRTJFNKOXXNQRB-ZDUSSCGKSA-N
MW283.33 g/mol
LogP2.31
Rot. Bonds5

About (2S)-2-(4-methylphenoxy)-N-(pyridin-2-ylmethylideneamino)propanamide

(2S)-2-(4-methylphenoxy)-N-(pyridin-2-ylmethylideneamino)propanamide (PubChem CID 706969) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is (2S)-2-(4-methylphenoxy)-N-(pyridin-2-ylmethylideneamino)propanamide.

Molecular Properties

Compound Name(2S)-2-(4-methylphenoxy)-N-(pyridin-2-ylmethylideneamino)propanamide
PubChem CID706969
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name(2S)-2-(4-methylphenoxy)-N-(pyridin-2-ylmethylideneamino)propanamide
SMILESCc1ccc(O[C@@H](C)C(=O)NN=Cc2ccccn2)cc1
InChIInChI=1S/C16H17N3O2/c1-12-6-8-15(9-7-12)21-13(2)16(20)19-18-11-14-5-3-4-10-17-14/h3-11,13H,1-2H3,(H,19,20)/t13-/m0/s1
InChIKeyQRTJFNKOXXNQRB-ZDUSSCGKSA-N
XLogP2.31
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.31
H-Bond Donors ≤ 51
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-[(4-methoxyphenyl)methylideneamino]-2-(4-methylphenoxy)propanamide
CID 19165293
N-[(4-methylphenyl)methylideneamino]-2-naphthalen-2-yloxypropanamide
CID 4939949
2-(4-bromophenoxy)-N-[(Z)-(4-methylphenyl)methylideneamino]propanamide
CID 6167380
(2R)-2-(4-chlorophenoxy)-N-[(4-methylphenyl)methylideneamino]propanamide
CID 903054
3-(4-methylphenyl)sulfanyl-N-[(Z)-pyridin-2-ylmethylideneamino]propanamide
CID 126151317
2,5-dimethoxy-N-[(Z)-pyridin-2-ylmethylideneamino]benzamide
CID 5414466
(2S)-N-[(Z)-benzylideneamino]-2-(4-chlorophenoxy)propanamide
CID 5395999
(2S)-N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2-(4-methylphenoxy)propanamide
CID 5449938
(2S)-N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-2-(4-methylphenoxy)propanamide
CID 39911228
2-naphthalen-2-yloxy-N-(quinolin-8-ylmethylideneamino)propanamide
CID 2867106
(2R)-N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-phenoxypropanamide
CID 135603975
(2S)-2-(4-chlorophenoxy)-N-(pyridin-4-ylmethylideneamino)propanamide
CID 706908

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-methylphenoxy)-N-(pyridin-2-ylmethylideneamino)propanamide?
The IUPAC name of (2S)-2-(4-methylphenoxy)-N-(pyridin-2-ylmethylideneamino)propanamide (CID 706969) is (2S)-2-(4-methylphenoxy)-N-(pyridin-2-ylmethylideneamino)propanamide.
What is the SMILES notation for (2S)-2-(4-methylphenoxy)-N-(pyridin-2-ylmethylideneamino)propanamide?
The canonical SMILES for (2S)-2-(4-methylphenoxy)-N-(pyridin-2-ylmethylideneamino)propanamide is Cc1ccc(O[C@@H](C)C(=O)NN=Cc2ccccn2)cc1.
What is the InChIKey of (2S)-2-(4-methylphenoxy)-N-(pyridin-2-ylmethylideneamino)propanamide?
The InChIKey is QRTJFNKOXXNQRB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-12-6-8-15(9-7-12)21-13(2)16(20)19-18-11-14-5-3-4-10-17-14/h3-11,13H,1-2H3,(H,19,20)/t13-/m0/s1.
What are the key properties of (2S)-2-(4-methylphenoxy)-N-(pyridin-2-ylmethylideneamino)propanamide?
(2S)-2-(4-methylphenoxy)-N-(pyridin-2-ylmethylideneamino)propanamide has a molecular weight of 283.33 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-methylphenoxy)-N-(pyridin-2-ylmethylideneamino)propanamide is sourced from PubChem (CID 706969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).