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

C15H14ClN3O2 — CID 44999999

IUPACN-[(2-chlorophenyl)methyl]-N'-(4-methyl-2-pyridinyl)oxamide
SMILESCc1ccnc(NC(=O)C(=O)NCc2ccccc2Cl)c1
InChIInChI=1S/C15H14ClN3O2/c1-10-6-7-17-13(8-10)19-15(21)14(20)18-9-11-4-2-3-5-12(11)16/h2-8H,9H2,1H3,(H,18,20)(H,17,19,21)
InChIKeyMQVUTBJGJASNGE-UHFFFAOYSA-N
MW303.75 g/mol
LogP2.30
Rot. Bonds3

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

N-[(2-chlorophenyl)methyl]-N'-(4-methyl-2-pyridinyl)oxamide (PubChem CID 44999999) has the molecular formula C15H14ClN3O2 and a molecular weight of 303.75 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-N'-(4-methyl-2-pyridinyl)oxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-N'-(4-methyl-2-pyridinyl)oxamide
PubChem CID44999999
Molecular FormulaC15H14ClN3O2
Molecular Weight303.75 g/mol
Exact Mass303.08
IUPAC NameN-[(2-chlorophenyl)methyl]-N'-(4-methyl-2-pyridinyl)oxamide
SMILESCc1ccnc(NC(=O)C(=O)NCc2ccccc2Cl)c1
InChIInChI=1S/C15H14ClN3O2/c1-10-6-7-17-13(8-10)19-15(21)14(20)18-9-11-4-2-3-5-12(11)16/h2-8H,9H2,1H3,(H,18,20)(H,17,19,21)
InChIKeyMQVUTBJGJASNGE-UHFFFAOYSA-N
XLogP2.30
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 52.30
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

N-[(4-methylphenyl)methyl]-N'-(4-methyl-2-pyridinyl)oxamide
CID 44999915
1-[(2-chlorophenyl)methyl]-3-(4-chloro-2-pyridinyl)urea
CID 108897788
1-[3-(2-chlorophenyl)propyl]-3-(4-methyl-2-pyridinyl)thiourea
CID 100672322
1-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-3-(4-methyl-2-pyridinyl)thiourea
CID 100587483
N'-(2-ethyl-6-methylphenyl)-N-(4-methyl-2-pyridinyl)oxamide
CID 108512163
N-(2-methylphenyl)-N'-(4-methyl-2-pyridinyl)oxamide
CID 45000004
N-[(2-chlorophenyl)methyl]-N'-(2-ethylphenyl)oxamide
CID 2266307
N-[(2-chlorophenyl)methyl]-N'-(3,5-dichlorophenyl)oxamide
CID 108506161
N-(1,3-benzodioxol-5-ylmethyl)-N'-(4-methyl-2-pyridinyl)oxamide
CID 44999955
N-(2-chloro-3-pyridinyl)-N'-(4-methyl-2-pyridinyl)oxamide
CID 108520500
N-(2,4-dichlorophenyl)-N'-(4-methyl-2-pyridinyl)oxamide
CID 108502942
N-(4-methyl-2-pyridinyl)-2-phenylacetamide
CID 4232423

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-N'-(4-methyl-2-pyridinyl)oxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-N'-(4-methyl-2-pyridinyl)oxamide (CID 44999999) is N-[(2-chlorophenyl)methyl]-N'-(4-methyl-2-pyridinyl)oxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-N'-(4-methyl-2-pyridinyl)oxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-N'-(4-methyl-2-pyridinyl)oxamide is Cc1ccnc(NC(=O)C(=O)NCc2ccccc2Cl)c1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-N'-(4-methyl-2-pyridinyl)oxamide?
The InChIKey is MQVUTBJGJASNGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O2/c1-10-6-7-17-13(8-10)19-15(21)14(20)18-9-11-4-2-3-5-12(11)16/h2-8H,9H2,1H3,(H,18,20)(H,17,19,21).
What are the key properties of N-[(2-chlorophenyl)methyl]-N'-(4-methyl-2-pyridinyl)oxamide?
N-[(2-chlorophenyl)methyl]-N'-(4-methyl-2-pyridinyl)oxamide has a molecular weight of 303.75 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-N'-(4-methyl-2-pyridinyl)oxamide is sourced from PubChem (CID 44999999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).