N'-(3-hydroxy-1-phenylpropyl)-N-(6-methyl-2-pyridinyl)oxamide

C17H19N3O3 — CID 86807653

IUPACN'-(3-hydroxy-1-phenylpropyl)-N-(6-methyl-2-pyridinyl)oxamide
SMILESCc1cccc(NC(=O)C(=O)NC(CCO)c2ccccc2)n1
InChIInChI=1S/C17H19N3O3/c1-12-6-5-9-15(18-12)20-17(23)16(22)19-14(10-11-21)13-7-3-2-4-8-13/h2-9,14,21H,10-11H2,1H3,(H,19,22)(H,18,20,23)
InChIKeyFBGXNNFYMSKIGG-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.57
Rot. Bonds5

About N'-(3-hydroxy-1-phenylpropyl)-N-(6-methyl-2-pyridinyl)oxamide

N'-(3-hydroxy-1-phenylpropyl)-N-(6-methyl-2-pyridinyl)oxamide (PubChem CID 86807653) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is N'-(3-hydroxy-1-phenylpropyl)-N-(6-methyl-2-pyridinyl)oxamide.

Molecular Properties

Compound NameN'-(3-hydroxy-1-phenylpropyl)-N-(6-methyl-2-pyridinyl)oxamide
PubChem CID86807653
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC NameN'-(3-hydroxy-1-phenylpropyl)-N-(6-methyl-2-pyridinyl)oxamide
SMILESCc1cccc(NC(=O)C(=O)NC(CCO)c2ccccc2)n1
InChIInChI=1S/C17H19N3O3/c1-12-6-5-9-15(18-12)20-17(23)16(22)19-14(10-11-21)13-7-3-2-4-8-13/h2-9,14,21H,10-11H2,1H3,(H,19,22)(H,18,20,23)
InChIKeyFBGXNNFYMSKIGG-UHFFFAOYSA-N
XLogP1.57
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2,3-dimethylphenyl)-N'-(3-hydroxy-1-phenylpropyl)oxamide
CID 111798272
N-(6-methyl-2-pyridinyl)-N'-propan-2-yloxamide
CID 44997659
N-(3-chloro-2-methylphenyl)-N'-(3-hydroxy-1-phenylpropyl)oxamide
CID 111798305
N-(4-chlorophenyl)-N'-[(1R)-3-hydroxy-1-phenylpropyl]oxamide
CID 97014806
2-[(6-methyl-2-pyridinyl)amino]-2-phenylethanol
CID 63183355
N-(6-methyl-2-pyridinyl)-2-phenylpropanamide
CID 70678328
1-[(1R)-3-hydroxy-1-phenylpropyl]-3-pyridin-2-ylurea
CID 111450280
N-(6-methyl-2-pyridinyl)propanamide
CID 5057760
N-(2-methylphenyl)-N'-(6-methyl-2-pyridinyl)oxamide
CID 44997672
[(1S)-3-hydroxy-1-phenylpropyl]carbamothioic S-acid
CID 142183585
N-(2-hydroxy-1-phenylethyl)-6-methylpyridine-2-carboxamide
CID 63184440
1-[(1R)-3-hydroxy-1-phenylpropyl]-3-(4-methylphenyl)urea
CID 111450296

Frequently Asked Questions

What is the IUPAC name of N'-(3-hydroxy-1-phenylpropyl)-N-(6-methyl-2-pyridinyl)oxamide?
The IUPAC name of N'-(3-hydroxy-1-phenylpropyl)-N-(6-methyl-2-pyridinyl)oxamide (CID 86807653) is N'-(3-hydroxy-1-phenylpropyl)-N-(6-methyl-2-pyridinyl)oxamide.
What is the SMILES notation for N'-(3-hydroxy-1-phenylpropyl)-N-(6-methyl-2-pyridinyl)oxamide?
The canonical SMILES for N'-(3-hydroxy-1-phenylpropyl)-N-(6-methyl-2-pyridinyl)oxamide is Cc1cccc(NC(=O)C(=O)NC(CCO)c2ccccc2)n1.
What is the InChIKey of N'-(3-hydroxy-1-phenylpropyl)-N-(6-methyl-2-pyridinyl)oxamide?
The InChIKey is FBGXNNFYMSKIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-12-6-5-9-15(18-12)20-17(23)16(22)19-14(10-11-21)13-7-3-2-4-8-13/h2-9,14,21H,10-11H2,1H3,(H,19,22)(H,18,20,23).
What are the key properties of N'-(3-hydroxy-1-phenylpropyl)-N-(6-methyl-2-pyridinyl)oxamide?
N'-(3-hydroxy-1-phenylpropyl)-N-(6-methyl-2-pyridinyl)oxamide has a molecular weight of 313.36 g/mol, XLogP of 1.57, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-hydroxy-1-phenylpropyl)-N-(6-methyl-2-pyridinyl)oxamide is sourced from PubChem (CID 86807653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).