N'-[(2-chlorophenyl)methyl]-N-(pyridin-3-ylmethyl)oxamide

C15H14ClN3O2 — CID 44998655

IUPACN'-[(2-chlorophenyl)methyl]-N-(pyridin-3-ylmethyl)oxamide
SMILESO=C(NCc1cccnc1)C(=O)NCc1ccccc1Cl
InChIInChI=1S/C15H14ClN3O2/c16-13-6-2-1-5-12(13)10-19-15(21)14(20)18-9-11-4-3-7-17-8-11/h1-8H,9-10H2,(H,18,20)(H,19,21)
InChIKeyGKEHAIHNYMSAIB-UHFFFAOYSA-N
MW303.75 g/mol
LogP1.67
Rot. Bonds4

About N'-[(2-chlorophenyl)methyl]-N-(pyridin-3-ylmethyl)oxamide

N'-[(2-chlorophenyl)methyl]-N-(pyridin-3-ylmethyl)oxamide (PubChem CID 44998655) has the molecular formula C15H14ClN3O2 and a molecular weight of 303.75 g/mol. Its IUPAC name is N'-[(2-chlorophenyl)methyl]-N-(pyridin-3-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-[(2-chlorophenyl)methyl]-N-(pyridin-3-ylmethyl)oxamide
PubChem CID44998655
Molecular FormulaC15H14ClN3O2
Molecular Weight303.75 g/mol
Exact Mass303.08
IUPAC NameN'-[(2-chlorophenyl)methyl]-N-(pyridin-3-ylmethyl)oxamide
SMILESO=C(NCc1cccnc1)C(=O)NCc1ccccc1Cl
InChIInChI=1S/C15H14ClN3O2/c16-13-6-2-1-5-12(13)10-19-15(21)14(20)18-9-11-4-3-7-17-8-11/h1-8H,9-10H2,(H,18,20)(H,19,21)
InChIKeyGKEHAIHNYMSAIB-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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Related Compounds

2-chloro-N-(pyridin-3-ylmethyl)benzamide
CID 669068
N-[(2-chlorophenyl)methyl]-1-pyridin-3-ylmethanamine;hydrochloride
CID 154879239
N'-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)oxamide
CID 2244301
N-(2-hydroxyethyl)-N'-(pyridin-3-ylmethyl)oxamide
CID 3136535
N-[2-(2-fluorophenyl)ethyl]-N'-(pyridin-3-ylmethyl)oxamide
CID 108985083
N'-(2,4-dichlorophenyl)-N-(pyridin-3-ylmethyl)oxamide
CID 2818710
N-[(2-chlorophenyl)methyl]-3-(pyridin-3-ylmethoxy)benzamide
CID 55772208
N-(2-acetamidoethyl)-N'-(pyridin-3-ylmethyl)oxamide
CID 108506762
N-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]pyridine-3-carboxamide
CID 110705421
2-(2-chlorophenyl)-N-[(6-pyridin-3-yl-3-pyridinyl)methyl]acetamide
CID 91625896
N'-[(3-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)oxamide
CID 108984681
N'-(2-hydroxypropyl)-N-(pyridin-3-ylmethyl)oxamide
CID 44998654

Frequently Asked Questions

What is the IUPAC name of N'-[(2-chlorophenyl)methyl]-N-(pyridin-3-ylmethyl)oxamide?
The IUPAC name of N'-[(2-chlorophenyl)methyl]-N-(pyridin-3-ylmethyl)oxamide (CID 44998655) is N'-[(2-chlorophenyl)methyl]-N-(pyridin-3-ylmethyl)oxamide.
What is the SMILES notation for N'-[(2-chlorophenyl)methyl]-N-(pyridin-3-ylmethyl)oxamide?
The canonical SMILES for N'-[(2-chlorophenyl)methyl]-N-(pyridin-3-ylmethyl)oxamide is O=C(NCc1cccnc1)C(=O)NCc1ccccc1Cl.
What is the InChIKey of N'-[(2-chlorophenyl)methyl]-N-(pyridin-3-ylmethyl)oxamide?
The InChIKey is GKEHAIHNYMSAIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O2/c16-13-6-2-1-5-12(13)10-19-15(21)14(20)18-9-11-4-3-7-17-8-11/h1-8H,9-10H2,(H,18,20)(H,19,21).
What are the key properties of N'-[(2-chlorophenyl)methyl]-N-(pyridin-3-ylmethyl)oxamide?
N'-[(2-chlorophenyl)methyl]-N-(pyridin-3-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'-[(2-chlorophenyl)methyl]-N-(pyridin-3-ylmethyl)oxamide is sourced from PubChem (CID 44998655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).