N-[(4-methoxyphenyl)methyl]-N'-(pyridin-3-ylmethyl)oxamide

C16H17N3O3 — CID 3113974

IUPACN-[(4-methoxyphenyl)methyl]-N'-(pyridin-3-ylmethyl)oxamide
SMILESCOc1ccc(CNC(=O)C(=O)NCc2cccnc2)cc1
InChIInChI=1S/C16H17N3O3/c1-22-14-6-4-12(5-7-14)10-18-15(20)16(21)19-11-13-3-2-8-17-9-13/h2-9H,10-11H2,1H3,(H,18,20)(H,19,21)
InChIKeyRPRBNDPBMIDZBL-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.02
Rot. Bonds5

About N-[(4-methoxyphenyl)methyl]-N'-(pyridin-3-ylmethyl)oxamide

N-[(4-methoxyphenyl)methyl]-N'-(pyridin-3-ylmethyl)oxamide (PubChem CID 3113974) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-N'-(pyridin-3-ylmethyl)oxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-N'-(pyridin-3-ylmethyl)oxamide
PubChem CID3113974
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC NameN-[(4-methoxyphenyl)methyl]-N'-(pyridin-3-ylmethyl)oxamide
SMILESCOc1ccc(CNC(=O)C(=O)NCc2cccnc2)cc1
InChIInChI=1S/C16H17N3O3/c1-22-14-6-4-12(5-7-14)10-18-15(20)16(21)19-11-13-3-2-8-17-9-13/h2-9H,10-11H2,1H3,(H,18,20)(H,19,21)
InChIKeyRPRBNDPBMIDZBL-UHFFFAOYSA-N
XLogP1.02
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-N'-(pyridin-3-ylmethyl)oxamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-N'-(pyridin-3-ylmethyl)oxamide (CID 3113974) is N-[(4-methoxyphenyl)methyl]-N'-(pyridin-3-ylmethyl)oxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-N'-(pyridin-3-ylmethyl)oxamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-N'-(pyridin-3-ylmethyl)oxamide is COc1ccc(CNC(=O)C(=O)NCc2cccnc2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-N'-(pyridin-3-ylmethyl)oxamide?
The InChIKey is RPRBNDPBMIDZBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-22-14-6-4-12(5-7-14)10-18-15(20)16(21)19-11-13-3-2-8-17-9-13/h2-9H,10-11H2,1H3,(H,18,20)(H,19,21).
What are the key properties of N-[(4-methoxyphenyl)methyl]-N'-(pyridin-3-ylmethyl)oxamide?
N-[(4-methoxyphenyl)methyl]-N'-(pyridin-3-ylmethyl)oxamide has a molecular weight of 299.33 g/mol, XLogP of 1.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-N'-(pyridin-3-ylmethyl)oxamide is sourced from PubChem (CID 3113974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).