4-[[(2S)-2-hydroxy-2-phenylethyl]amino]-2-oxo-1H-pyridine-3-carboximidamide

C14H16N4O2 — CID 142174628

IUPAC4-[[(2S)-2-hydroxy-2-phenylethyl]amino]-2-oxo-1H-pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1c(NC[C@@H](O)c2ccccc2)cc[nH]c1=O
InChIInChI=1S/C14H16N4O2/c15-13(16)12-10(6-7-17-14(12)20)18-8-11(19)9-4-2-1-3-5-9/h1-7,11,19H,8H2,(H3,15,16)(H2,17,18,20)/t11-/m1/s1
InChIKeyVBYCLIGAWMZTKH-LLVKDONJSA-N
MW272.31 g/mol
LogP0.80
Rot. Bonds5

About 4-[[(2S)-2-hydroxy-2-phenylethyl]amino]-2-oxo-1H-pyridine-3-carboximidamide

4-[[(2S)-2-hydroxy-2-phenylethyl]amino]-2-oxo-1H-pyridine-3-carboximidamide (PubChem CID 142174628) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 4-[[(2S)-2-hydroxy-2-phenylethyl]amino]-2-oxo-1H-pyridine-3-carboximidamide.

Molecular Properties

Compound Name4-[[(2S)-2-hydroxy-2-phenylethyl]amino]-2-oxo-1H-pyridine-3-carboximidamide
PubChem CID142174628
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name4-[[(2S)-2-hydroxy-2-phenylethyl]amino]-2-oxo-1H-pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1c(NC[C@@H](O)c2ccccc2)cc[nH]c1=O
InChIInChI=1S/C14H16N4O2/c15-13(16)12-10(6-7-17-14(12)20)18-8-11(19)9-4-2-1-3-5-9/h1-7,11,19H,8H2,(H3,15,16)(H2,17,18,20)/t11-/m1/s1
InChIKeyVBYCLIGAWMZTKH-LLVKDONJSA-N
XLogP0.80
TPSA114.99 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 50.80
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-(6-acetyl-4-methyl-1H-benzimidazol-2-yl)-4-[(2-hydroxy-2-phenylethyl)amino]-1H-pyridin-2-one
CID 135553292
2-[(2-hydroxy-2-phenylethyl)amino]benzonitrile
CID 43393096
2-(2-amino-4-bromoanilino)-1-phenylethanol
CID 43498872
4-[(2-hydroxy-2-phenylethyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136956079
6-amino-1-ethyl-5-[(2-hydroxy-2-phenylethyl)amino]pyrimidine-2,4-dione
CID 60649098
3-cyano-N-[2-[4-[[(2S)-2-hydroxy-2-phenylethyl]amino]-2-oxo-1H-pyridin-3-yl]-1H-benzimidazol-4-yl]benzamide
CID 135954728
2-(2-amino-4-nitroanilino)-1-phenylethanol
CID 62508279
(1R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]-1-phenylethanol
CID 902475
5-bromo-2-[(2-hydroxy-2-phenylethyl)amino]benzonitrile
CID 82708510
2-[4-[[2-hydroxy-2-(3-methylphenyl)ethyl]amino]-2-oxo-1H-pyridin-3-yl]-2,3-dihydro-1H-benzimidazole-5,6-dicarbaldehyde;N-methylmethanamine
CID 143865689
(1S)-2-(2,4-dinitroanilino)-1-phenylethanol
CID 9311814
3-amino-N-(2-hydroxy-2-phenylethyl)propanamide
CID 43500072

Frequently Asked Questions

What is the IUPAC name of 4-[[(2S)-2-hydroxy-2-phenylethyl]amino]-2-oxo-1H-pyridine-3-carboximidamide?
The IUPAC name of 4-[[(2S)-2-hydroxy-2-phenylethyl]amino]-2-oxo-1H-pyridine-3-carboximidamide (CID 142174628) is 4-[[(2S)-2-hydroxy-2-phenylethyl]amino]-2-oxo-1H-pyridine-3-carboximidamide.
What is the SMILES notation for 4-[[(2S)-2-hydroxy-2-phenylethyl]amino]-2-oxo-1H-pyridine-3-carboximidamide?
The canonical SMILES for 4-[[(2S)-2-hydroxy-2-phenylethyl]amino]-2-oxo-1H-pyridine-3-carboximidamide is [H]/N=C(\N)c1c(NC[C@@H](O)c2ccccc2)cc[nH]c1=O.
What is the InChIKey of 4-[[(2S)-2-hydroxy-2-phenylethyl]amino]-2-oxo-1H-pyridine-3-carboximidamide?
The InChIKey is VBYCLIGAWMZTKH-LLVKDONJSA-N. The full InChI is InChI=1S/C14H16N4O2/c15-13(16)12-10(6-7-17-14(12)20)18-8-11(19)9-4-2-1-3-5-9/h1-7,11,19H,8H2,(H3,15,16)(H2,17,18,20)/t11-/m1/s1.
What are the key properties of 4-[[(2S)-2-hydroxy-2-phenylethyl]amino]-2-oxo-1H-pyridine-3-carboximidamide?
4-[[(2S)-2-hydroxy-2-phenylethyl]amino]-2-oxo-1H-pyridine-3-carboximidamide has a molecular weight of 272.31 g/mol, XLogP of 0.80, 5 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2S)-2-hydroxy-2-phenylethyl]amino]-2-oxo-1H-pyridine-3-carboximidamide is sourced from PubChem (CID 142174628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).