N-(2-phenylethyl)-N'-(pyridin-4-ylmethyl)oxamide

C16H17N3O2 — CID 3370489

IUPACN-(2-phenylethyl)-N'-(pyridin-4-ylmethyl)oxamide
SMILESO=C(NCCc1ccccc1)C(=O)NCc1ccncc1
InChIInChI=1S/C16H17N3O2/c20-15(18-11-8-13-4-2-1-3-5-13)16(21)19-12-14-6-9-17-10-7-14/h1-7,9-10H,8,11-12H2,(H,18,20)(H,19,21)
InChIKeyHACQMPYIKFHEAZ-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.06
Rot. Bonds5

About N-(2-phenylethyl)-N'-(pyridin-4-ylmethyl)oxamide

N-(2-phenylethyl)-N'-(pyridin-4-ylmethyl)oxamide (PubChem CID 3370489) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is N-(2-phenylethyl)-N'-(pyridin-4-ylmethyl)oxamide.

Molecular Properties

Compound NameN-(2-phenylethyl)-N'-(pyridin-4-ylmethyl)oxamide
PubChem CID3370489
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC NameN-(2-phenylethyl)-N'-(pyridin-4-ylmethyl)oxamide
SMILESO=C(NCCc1ccccc1)C(=O)NCc1ccncc1
InChIInChI=1S/C16H17N3O2/c20-15(18-11-8-13-4-2-1-3-5-13)16(21)19-12-14-6-9-17-10-7-14/h1-7,9-10H,8,11-12H2,(H,18,20)(H,19,21)
InChIKeyHACQMPYIKFHEAZ-UHFFFAOYSA-N
XLogP1.06
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Amrinone
CID 3698
CR665
CID 25030387
(2-Phenylethyl)(3-pyridinylmethyl)amine hydrochloride
CID 201618
(2S)-N-(cyanomethyl)-4-methyl-2-{[(1S)-2,2,2-trifluoro-1-[4-(pyridin-4-yl)phenyl]ethyl]amino}pentanamide
CID 10194354
(2S)-N-(cyanomethyl)-4-methyl-2-{[(1S)-2,2,2-trifluoro-1-{4-[4-(pyridin-4-yl)phenyl]phenyl}ethyl]amino}pentanamide
CID 23648309
N-(3-phenylpropyl)pyridine-3-carboxamide
CID 4648643
1-Cyclohexyl-3-(pyridin-4-ylmethyl)urea
CID 888059
N-[4-(pyridin-4-ylmethyl)phenyl]acetamide
CID 653424
N-(3,3-diphenylpropyl)pyridine-4-carboxamide
CID 5193384
N-(3-methylphenyl)-2-(4-pyridin-2-ylpiperidin-1-yl)acetamide
CID 10425450
N-(cyanomethyl)-4-methyl-2-[3-(pyridin-3-yl)phenyl]pentanamide
CID 10979734
N-(3,3-Diphenyl-propyl)-2-pyridine-3-ylacetamide
CID 11976254

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-N'-(pyridin-4-ylmethyl)oxamide?
The IUPAC name of N-(2-phenylethyl)-N'-(pyridin-4-ylmethyl)oxamide (CID 3370489) is N-(2-phenylethyl)-N'-(pyridin-4-ylmethyl)oxamide.
What is the SMILES notation for N-(2-phenylethyl)-N'-(pyridin-4-ylmethyl)oxamide?
The canonical SMILES for N-(2-phenylethyl)-N'-(pyridin-4-ylmethyl)oxamide is O=C(NCCc1ccccc1)C(=O)NCc1ccncc1.
What is the InChIKey of N-(2-phenylethyl)-N'-(pyridin-4-ylmethyl)oxamide?
The InChIKey is HACQMPYIKFHEAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c20-15(18-11-8-13-4-2-1-3-5-13)16(21)19-12-14-6-9-17-10-7-14/h1-7,9-10H,8,11-12H2,(H,18,20)(H,19,21).
What are the key properties of N-(2-phenylethyl)-N'-(pyridin-4-ylmethyl)oxamide?
N-(2-phenylethyl)-N'-(pyridin-4-ylmethyl)oxamide has a molecular weight of 283.33 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-N'-(pyridin-4-ylmethyl)oxamide is sourced from PubChem (CID 3370489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).