oxalic acid;N-phenyl-2-(pyridin-3-ylmethylamino)acetamide

C16H17N3O5 — CID 175652905

IUPACoxalic acid;N-phenyl-2-(pyridin-3-ylmethylamino)acetamide
SMILESO=C(CNCc1cccnc1)Nc1ccccc1.O=C(O)C(=O)O
InChIInChI=1S/C14H15N3O.C2H2O4/c18-14(17-13-6-2-1-3-7-13)11-16-10-12-5-4-8-15-9-12;3-1(4)2(5)6/h1-9,16H,10-11H2,(H,17,18);(H,3,4)(H,5,6)
InChIKeyBABLRYOSQGFGSW-UHFFFAOYSA-N
MW331.33 g/mol
LogP0.97
Rot. Bonds5

About oxalic acid;N-phenyl-2-(pyridin-3-ylmethylamino)acetamide

oxalic acid;N-phenyl-2-(pyridin-3-ylmethylamino)acetamide (PubChem CID 175652905) has the molecular formula C16H17N3O5 and a molecular weight of 331.33 g/mol. Its IUPAC name is oxalic acid;N-phenyl-2-(pyridin-3-ylmethylamino)acetamide.

Molecular Properties

Compound Nameoxalic acid;N-phenyl-2-(pyridin-3-ylmethylamino)acetamide
PubChem CID175652905
Molecular FormulaC16H17N3O5
Molecular Weight331.33 g/mol
Exact Mass331.12
IUPAC Nameoxalic acid;N-phenyl-2-(pyridin-3-ylmethylamino)acetamide
SMILESO=C(CNCc1cccnc1)Nc1ccccc1.O=C(O)C(=O)O
InChIInChI=1S/C14H15N3O.C2H2O4/c18-14(17-13-6-2-1-3-7-13)11-16-10-12-5-4-8-15-9-12;3-1(4)2(5)6/h1-9,16H,10-11H2,(H,17,18);(H,3,4)(H,5,6)
InChIKeyBABLRYOSQGFGSW-UHFFFAOYSA-N
XLogP0.97
TPSA128.62 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.33
LogP ≤ 50.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-piperidin-1-ylphenyl)-2-(pyridin-3-ylmethylamino)acetamide
CID 44754054
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(pyridin-3-ylmethylamino)acetamide
CID 108999433
azane;1-phenyl-3-(pyridin-3-ylmethyl)urea
CID 175504411
3-oxo-N-phenyl-4-pyridin-3-ylbutanamide
CID 131865555
2-[(4-hydroxyphenyl)methylamino]-N-phenylacetamide
CID 115584767
N-[4-[(pyridin-3-ylmethylamino)methyl]phenyl]acetamide
CID 27654042
N-[3-[(pyridin-3-ylmethylamino)methyl]phenyl]benzamide
CID 167788659
1-phenyl-3-(pyridin-3-ylmethyl)thiourea
CID 804302
2-(benzylamino)-N-(4-iodophenyl)acetamide
CID 2824675
N-phenyl-2-(pyridazin-3-ylmethylamino)acetamide
CID 106895878
N-butyl-2-(pyridin-3-ylmethylamino)acetamide
CID 60671469
2-[(3-methyl-2-pyridinyl)methylamino]-N-phenylacetamide
CID 55205384

Frequently Asked Questions

What is the IUPAC name of oxalic acid;N-phenyl-2-(pyridin-3-ylmethylamino)acetamide?
The IUPAC name of oxalic acid;N-phenyl-2-(pyridin-3-ylmethylamino)acetamide (CID 175652905) is oxalic acid;N-phenyl-2-(pyridin-3-ylmethylamino)acetamide.
What is the SMILES notation for oxalic acid;N-phenyl-2-(pyridin-3-ylmethylamino)acetamide?
The canonical SMILES for oxalic acid;N-phenyl-2-(pyridin-3-ylmethylamino)acetamide is O=C(CNCc1cccnc1)Nc1ccccc1.O=C(O)C(=O)O.
What is the InChIKey of oxalic acid;N-phenyl-2-(pyridin-3-ylmethylamino)acetamide?
The InChIKey is BABLRYOSQGFGSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O.C2H2O4/c18-14(17-13-6-2-1-3-7-13)11-16-10-12-5-4-8-15-9-12;3-1(4)2(5)6/h1-9,16H,10-11H2,(H,17,18);(H,3,4)(H,5,6).
What are the key properties of oxalic acid;N-phenyl-2-(pyridin-3-ylmethylamino)acetamide?
oxalic acid;N-phenyl-2-(pyridin-3-ylmethylamino)acetamide has a molecular weight of 331.33 g/mol, XLogP of 0.97, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxalic acid;N-phenyl-2-(pyridin-3-ylmethylamino)acetamide is sourced from PubChem (CID 175652905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).