N-[(4-chlorophenyl)methyl]-N'-(pyridin-2-ylmethyl)oxamide

C15H14ClN3O2 — CID 2250188

IUPACN-[(4-chlorophenyl)methyl]-N'-(pyridin-2-ylmethyl)oxamide
SMILESO=C(NCc1ccc(Cl)cc1)C(=O)NCc1ccccn1
InChIInChI=1S/C15H14ClN3O2/c16-12-6-4-11(5-7-12)9-18-14(20)15(21)19-10-13-3-1-2-8-17-13/h1-8H,9-10H2,(H,18,20)(H,19,21)
InChIKeyQTGZGJOMTQBCPD-UHFFFAOYSA-N
MW303.75 g/mol
LogP1.67
Rot. Bonds4

About N-[(4-chlorophenyl)methyl]-N'-(pyridin-2-ylmethyl)oxamide

N-[(4-chlorophenyl)methyl]-N'-(pyridin-2-ylmethyl)oxamide (PubChem CID 2250188) has the molecular formula C15H14ClN3O2 and a molecular weight of 303.75 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-N'-(pyridin-2-ylmethyl)oxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-N'-(pyridin-2-ylmethyl)oxamide
PubChem CID2250188
Molecular FormulaC15H14ClN3O2
Molecular Weight303.75 g/mol
Exact Mass303.08
IUPAC NameN-[(4-chlorophenyl)methyl]-N'-(pyridin-2-ylmethyl)oxamide
SMILESO=C(NCc1ccc(Cl)cc1)C(=O)NCc1ccccn1
InChIInChI=1S/C15H14ClN3O2/c16-12-6-4-11(5-7-12)9-18-14(20)15(21)19-10-13-3-1-2-8-17-13/h1-8H,9-10H2,(H,18,20)(H,19,21)
InChIKeyQTGZGJOMTQBCPD-UHFFFAOYSA-N
XLogP1.67
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-chlorophenyl)methyl]-N'-(pyridin-2-ylmethyl)oxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-N'-(pyridin-2-ylmethyl)oxamide (CID 2250188) is N-[(4-chlorophenyl)methyl]-N'-(pyridin-2-ylmethyl)oxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-N'-(pyridin-2-ylmethyl)oxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-N'-(pyridin-2-ylmethyl)oxamide is O=C(NCc1ccc(Cl)cc1)C(=O)NCc1ccccn1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-N'-(pyridin-2-ylmethyl)oxamide?
The InChIKey is QTGZGJOMTQBCPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O2/c16-12-6-4-11(5-7-12)9-18-14(20)15(21)19-10-13-3-1-2-8-17-13/h1-8H,9-10H2,(H,18,20)(H,19,21).
What are the key properties of N-[(4-chlorophenyl)methyl]-N'-(pyridin-2-ylmethyl)oxamide?
N-[(4-chlorophenyl)methyl]-N'-(pyridin-2-ylmethyl)oxamide has a molecular weight of 303.75 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-N'-(pyridin-2-ylmethyl)oxamide is sourced from PubChem (CID 2250188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).