(2S)-2-hydroxy-N-[(Z)-(6-methyl-2-pyridinyl)methylideneamino]-2-phenylacetamide

C15H15N3O2 — CID 94849044

IUPAC(2S)-2-hydroxy-N-[(Z)-(6-methyl-2-pyridinyl)methylideneamino]-2-phenylacetamide
SMILESCc1cccc(/C=N\NC(=O)[C@@H](O)c2ccccc2)n1
InChIInChI=1S/C15H15N3O2/c1-11-6-5-9-13(17-11)10-16-18-15(20)14(19)12-7-3-2-4-8-12/h2-10,14,19H,1H3,(H,18,20)/b16-10-/t14-/m0/s1
InChIKeyLDZTXMORKCKDOE-FBKCMUNRSA-N
MW269.30 g/mol
LogP1.57
Rot. Bonds4

About (2S)-2-hydroxy-N-[(Z)-(6-methyl-2-pyridinyl)methylideneamino]-2-phenylacetamide

(2S)-2-hydroxy-N-[(Z)-(6-methyl-2-pyridinyl)methylideneamino]-2-phenylacetamide (PubChem CID 94849044) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is (2S)-2-hydroxy-N-[(Z)-(6-methyl-2-pyridinyl)methylideneamino]-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-hydroxy-N-[(Z)-(6-methyl-2-pyridinyl)methylideneamino]-2-phenylacetamide
PubChem CID94849044
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name(2S)-2-hydroxy-N-[(Z)-(6-methyl-2-pyridinyl)methylideneamino]-2-phenylacetamide
SMILESCc1cccc(/C=N\NC(=O)[C@@H](O)c2ccccc2)n1
InChIInChI=1S/C15H15N3O2/c1-11-6-5-9-13(17-11)10-16-18-15(20)14(19)12-7-3-2-4-8-12/h2-10,14,19H,1H3,(H,18,20)/b16-10-/t14-/m0/s1
InChIKeyLDZTXMORKCKDOE-FBKCMUNRSA-N
XLogP1.57
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.57
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-[(E)-(6-methyl-2-pyridinyl)methylideneamino]benzamide
CID 14987546
(2R)-2-(2-methylanilino)-N-[(Z)-(6-methyl-2-pyridinyl)methylideneamino]propanamide
CID 5403196
N,N'-bis[(Z)-(6-methyl-2-pyridinyl)methylideneamino]butanediamide
CID 6371795
(2R)-N-[(E)-dimethylaminomethylideneamino]-2-hydroxy-2-phenylacetamide
CID 92856892
(2R)-2-hydroxy-N-[(Z)-(4-methoxyphenyl)methylideneamino]-2-phenylacetamide
CID 40516770
(2R)-N-[(Z)-(2,4-dimethylphenyl)methylideneamino]-2-hydroxy-2-phenylacetamide
CID 5414506
(2R)-2-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-phenylacetamide
CID 135674788
N-[(6-methyl-2-pyridinyl)methylideneamino]butanamide
CID 86152430
2-hydroxy-N-[(E)-(4-methylsulfanylphenyl)methylideneamino]-2-phenylacetamide;hydrochloride
CID 163329108
(2R)-N-[(Z)-anthracen-9-ylmethylideneamino]-2-hydroxy-2-phenylacetamide
CID 5435830
(2R)-2-hydroxy-N-[(Z)-(2-hydroxy-4-methylphenyl)methylideneamino]-2-phenylacetamide
CID 136912785
[(6-methyl-2-pyridinyl)methylideneamino]thiourea
CID 5042042

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-N-[(Z)-(6-methyl-2-pyridinyl)methylideneamino]-2-phenylacetamide?
The IUPAC name of (2S)-2-hydroxy-N-[(Z)-(6-methyl-2-pyridinyl)methylideneamino]-2-phenylacetamide (CID 94849044) is (2S)-2-hydroxy-N-[(Z)-(6-methyl-2-pyridinyl)methylideneamino]-2-phenylacetamide.
What is the SMILES notation for (2S)-2-hydroxy-N-[(Z)-(6-methyl-2-pyridinyl)methylideneamino]-2-phenylacetamide?
The canonical SMILES for (2S)-2-hydroxy-N-[(Z)-(6-methyl-2-pyridinyl)methylideneamino]-2-phenylacetamide is Cc1cccc(/C=N\NC(=O)[C@@H](O)c2ccccc2)n1.
What is the InChIKey of (2S)-2-hydroxy-N-[(Z)-(6-methyl-2-pyridinyl)methylideneamino]-2-phenylacetamide?
The InChIKey is LDZTXMORKCKDOE-FBKCMUNRSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-11-6-5-9-13(17-11)10-16-18-15(20)14(19)12-7-3-2-4-8-12/h2-10,14,19H,1H3,(H,18,20)/b16-10-/t14-/m0/s1.
What are the key properties of (2S)-2-hydroxy-N-[(Z)-(6-methyl-2-pyridinyl)methylideneamino]-2-phenylacetamide?
(2S)-2-hydroxy-N-[(Z)-(6-methyl-2-pyridinyl)methylideneamino]-2-phenylacetamide has a molecular weight of 269.30 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-N-[(Z)-(6-methyl-2-pyridinyl)methylideneamino]-2-phenylacetamide is sourced from PubChem (CID 94849044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).