N-[(3-pyridin-2-ylphenyl)methyl]-N'-pyrimidin-5-yloxamide

C18H15N5O2 — CID 155949161

IUPACN-[(3-pyridin-2-ylphenyl)methyl]-N'-pyrimidin-5-yloxamide
SMILESO=C(NCc1cccc(-c2ccccn2)c1)C(=O)Nc1cncnc1
InChIInChI=1S/C18H15N5O2/c24-17(18(25)23-15-10-19-12-20-11-15)22-9-13-4-3-5-14(8-13)16-6-1-2-7-21-16/h1-8,10-12H,9H2,(H,22,24)(H,23,25)
InChIKeyFYJHXESCDSPWRG-UHFFFAOYSA-N
MW333.35 g/mol
LogP1.79
Rot. Bonds4

About N-[(3-pyridin-2-ylphenyl)methyl]-N'-pyrimidin-5-yloxamide

N-[(3-pyridin-2-ylphenyl)methyl]-N'-pyrimidin-5-yloxamide (PubChem CID 155949161) has the molecular formula C18H15N5O2 and a molecular weight of 333.35 g/mol. Its IUPAC name is N-[(3-pyridin-2-ylphenyl)methyl]-N'-pyrimidin-5-yloxamide.

Molecular Properties

Compound NameN-[(3-pyridin-2-ylphenyl)methyl]-N'-pyrimidin-5-yloxamide
PubChem CID155949161
Molecular FormulaC18H15N5O2
Molecular Weight333.35 g/mol
Exact Mass333.12
IUPAC NameN-[(3-pyridin-2-ylphenyl)methyl]-N'-pyrimidin-5-yloxamide
SMILESO=C(NCc1cccc(-c2ccccn2)c1)C(=O)Nc1cncnc1
InChIInChI=1S/C18H15N5O2/c24-17(18(25)23-15-10-19-12-20-11-15)22-9-13-4-3-5-14(8-13)16-6-1-2-7-21-16/h1-8,10-12H,9H2,(H,22,24)(H,23,25)
InChIKeyFYJHXESCDSPWRG-UHFFFAOYSA-N
XLogP1.79
TPSA96.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(4-methylpiperazin-1-yl)phenyl]-N-[(3-pyridin-2-ylphenyl)methyl]oxamide
CID 166231717
1-(3-nitro-4-pyridinyl)-3-[(3-pyridin-2-ylphenyl)methyl]urea
CID 75501317
2-oxo-N-[(4-pyridin-2-ylphenyl)methyl]propanamide
CID 110478301
(2S)-3-phenyl-2-[(3-pyridin-2-ylphenyl)methylamino]propanamide;2,2,2-trifluoroacetic acid
CID 53360237
3-pyridin-2-ylbenzoate
CID 7020368
2-phenyl-N-[(3-pyridin-2-ylphenyl)methyl]aniline
CID 140871795
2-methyl-N-[(3-pyridin-2-ylphenyl)methyl]propan-1-amine
CID 122602486
azane;(3E)-4-(2-fluorophenyl)-N-[(3-pyridin-2-ylphenyl)methyl]buta-1,3-dien-2-amine
CID 142190252
N'-(4-methylphenyl)-N-[(3-methylphenyl)methyl]oxamide
CID 86919833
N'-(3H-benzimidazol-5-yl)-N-(pyridin-3-ylmethyl)oxamide
CID 108506743
N'-(3-acetamidophenyl)-N-(pyridin-4-ylmethyl)oxamide
CID 7584760
(3R)-3-cyclopropyl-N-[(3-pyridin-2-ylphenyl)methyl]morpholine-4-carboxamide
CID 124514244

Frequently Asked Questions

What is the IUPAC name of N-[(3-pyridin-2-ylphenyl)methyl]-N'-pyrimidin-5-yloxamide?
The IUPAC name of N-[(3-pyridin-2-ylphenyl)methyl]-N'-pyrimidin-5-yloxamide (CID 155949161) is N-[(3-pyridin-2-ylphenyl)methyl]-N'-pyrimidin-5-yloxamide.
What is the SMILES notation for N-[(3-pyridin-2-ylphenyl)methyl]-N'-pyrimidin-5-yloxamide?
The canonical SMILES for N-[(3-pyridin-2-ylphenyl)methyl]-N'-pyrimidin-5-yloxamide is O=C(NCc1cccc(-c2ccccn2)c1)C(=O)Nc1cncnc1.
What is the InChIKey of N-[(3-pyridin-2-ylphenyl)methyl]-N'-pyrimidin-5-yloxamide?
The InChIKey is FYJHXESCDSPWRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O2/c24-17(18(25)23-15-10-19-12-20-11-15)22-9-13-4-3-5-14(8-13)16-6-1-2-7-21-16/h1-8,10-12H,9H2,(H,22,24)(H,23,25).
What are the key properties of N-[(3-pyridin-2-ylphenyl)methyl]-N'-pyrimidin-5-yloxamide?
N-[(3-pyridin-2-ylphenyl)methyl]-N'-pyrimidin-5-yloxamide has a molecular weight of 333.35 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-pyridin-2-ylphenyl)methyl]-N'-pyrimidin-5-yloxamide is sourced from PubChem (CID 155949161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).