3-amino-3-hydroxyimino-2-phenyl-N-(pyridin-2-ylmethyl)propanamide

C15H16N4O2 — CID 76975364

IUPAC3-amino-3-hydroxyimino-2-phenyl-N-(pyridin-2-ylmethyl)propanamide
SMILESNC(=NO)C(C(=O)NCc1ccccn1)c1ccccc1
InChIInChI=1S/C15H16N4O2/c16-14(19-21)13(11-6-2-1-3-7-11)15(20)18-10-12-8-4-5-9-17-12/h1-9,13,21H,10H2,(H2,16,19)(H,18,20)
InChIKeyJCDIMNRDCVJOHQ-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.23
Rot. Bonds5

About 3-amino-3-hydroxyimino-2-phenyl-N-(pyridin-2-ylmethyl)propanamide

3-amino-3-hydroxyimino-2-phenyl-N-(pyridin-2-ylmethyl)propanamide (PubChem CID 76975364) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 3-amino-3-hydroxyimino-2-phenyl-N-(pyridin-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-amino-3-hydroxyimino-2-phenyl-N-(pyridin-2-ylmethyl)propanamide
PubChem CID76975364
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name3-amino-3-hydroxyimino-2-phenyl-N-(pyridin-2-ylmethyl)propanamide
SMILESNC(=NO)C(C(=O)NCc1ccccn1)c1ccccc1
InChIInChI=1S/C15H16N4O2/c16-14(19-21)13(11-6-2-1-3-7-11)15(20)18-10-12-8-4-5-9-17-12/h1-9,13,21H,10H2,(H2,16,19)(H,18,20)
InChIKeyJCDIMNRDCVJOHQ-UHFFFAOYSA-N
XLogP1.23
TPSA100.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-amino-3-hydroxyimino-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-phenylpropanamide
CID 76993736
2-phenyl-3-pyridin-2-yl-N-(pyridin-2-ylmethyl)propanamide
CID 110410528
(3Z)-3-amino-N-butyl-3-hydroxyimino-2-phenylpropanamide
CID 55128921
3-amino-3-hydroxyimino-N-[(5-methylfuran-2-yl)methyl]-2-phenylpropanamide
CID 76975321
3-amino-2-phenyl-N-(2-pyridin-2-ylethyl)-3-sulfanylidenepropanamide
CID 62876524
2-amino-N-(pyridin-2-ylmethyl)butanediamide
CID 60847401
(3E)-3-amino-3-hydroxyimino-2-phenyl-N-(2,2,3,3-tetrafluoropropyl)propanamide
CID 106295261
3-amino-3-hydroxyimino-N-pentan-3-yl-2-phenylpropanamide
CID 76975352
2-amino-3-phenyl-N-(pyridin-2-ylmethyl)propanamide;hydrochloride
CID 56832236
2-phenyl-3-pyridin-4-yl-N-(pyridin-2-ylmethyl)propanamide
CID 110410530
2-ethyl-N-(pyridin-2-ylmethyl)butanamide
CID 5055685
(3Z)-3-amino-3-hydroxyimino-2-phenyl-N-propan-2-ylpropanamide
CID 55128874

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-hydroxyimino-2-phenyl-N-(pyridin-2-ylmethyl)propanamide?
The IUPAC name of 3-amino-3-hydroxyimino-2-phenyl-N-(pyridin-2-ylmethyl)propanamide (CID 76975364) is 3-amino-3-hydroxyimino-2-phenyl-N-(pyridin-2-ylmethyl)propanamide.
What is the SMILES notation for 3-amino-3-hydroxyimino-2-phenyl-N-(pyridin-2-ylmethyl)propanamide?
The canonical SMILES for 3-amino-3-hydroxyimino-2-phenyl-N-(pyridin-2-ylmethyl)propanamide is NC(=NO)C(C(=O)NCc1ccccn1)c1ccccc1.
What is the InChIKey of 3-amino-3-hydroxyimino-2-phenyl-N-(pyridin-2-ylmethyl)propanamide?
The InChIKey is JCDIMNRDCVJOHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c16-14(19-21)13(11-6-2-1-3-7-11)15(20)18-10-12-8-4-5-9-17-12/h1-9,13,21H,10H2,(H2,16,19)(H,18,20).
What are the key properties of 3-amino-3-hydroxyimino-2-phenyl-N-(pyridin-2-ylmethyl)propanamide?
3-amino-3-hydroxyimino-2-phenyl-N-(pyridin-2-ylmethyl)propanamide has a molecular weight of 284.32 g/mol, XLogP of 1.23, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-hydroxyimino-2-phenyl-N-(pyridin-2-ylmethyl)propanamide is sourced from PubChem (CID 76975364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).