N-(4-hydroxyphenyl)-N'-(3-methyl-2-pyridinyl)oxamide

C14H13N3O3 — CID 44997063

IUPACN-(4-hydroxyphenyl)-N'-(3-methyl-2-pyridinyl)oxamide
SMILESCc1cccnc1NC(=O)C(=O)Nc1ccc(O)cc1
InChIInChI=1S/C14H13N3O3/c1-9-3-2-8-15-12(9)17-14(20)13(19)16-10-4-6-11(18)7-5-10/h2-8,18H,1H3,(H,16,19)(H,15,17,20)
InChIKeyATIPNEHGKPLBMX-UHFFFAOYSA-N
MW271.28 g/mol
LogP1.67
Rot. Bonds2

About N-(4-hydroxyphenyl)-N'-(3-methyl-2-pyridinyl)oxamide

N-(4-hydroxyphenyl)-N'-(3-methyl-2-pyridinyl)oxamide (PubChem CID 44997063) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is N-(4-hydroxyphenyl)-N'-(3-methyl-2-pyridinyl)oxamide.

Molecular Properties

Compound NameN-(4-hydroxyphenyl)-N'-(3-methyl-2-pyridinyl)oxamide
PubChem CID44997063
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC NameN-(4-hydroxyphenyl)-N'-(3-methyl-2-pyridinyl)oxamide
SMILESCc1cccnc1NC(=O)C(=O)Nc1ccc(O)cc1
InChIInChI=1S/C14H13N3O3/c1-9-3-2-8-15-12(9)17-14(20)13(19)16-10-4-6-11(18)7-5-10/h2-8,18H,1H3,(H,16,19)(H,15,17,20)
InChIKeyATIPNEHGKPLBMX-UHFFFAOYSA-N
XLogP1.67
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(4-hydroxyphenyl)-N-(3-methyl-2-pyridinyl)prop-2-enamide
CID 84553243
N'-(3-methyl-2-pyridinyl)-N-propyloxamide
CID 44997048
N-(1H-indazol-6-yl)-N'-(3-methyl-2-pyridinyl)oxamide
CID 108530138
N-(3-methyl-2-pyridinyl)-N'-(1,2,4-triazol-4-yl)oxamide
CID 108519230
1-(3-methyl-2-pyridinyl)-3-(4-phenylphenyl)urea
CID 108867188
1-methyl-3-(3-methyl-2-pyridinyl)urea
CID 17171367
4-(methylamino)-N-(3-methyl-2-pyridinyl)benzamide
CID 55042397
N'-(3-methyl-2-pyridinyl)-N-(2,3,4-trifluorophenyl)oxamide
CID 108532495
N-(3-methyl-2-pyridinyl)-4-(phenylcarbamoylamino)benzamide
CID 35032477
N'-(3-methyl-2-pyridinyl)-N-(2-propan-2-ylphenyl)oxamide
CID 108500634
N-(3-methyl-2-pyridinyl)prop-2-enamide
CID 43616345
2,2-dimethyl-N-(3-methyl-2-pyridinyl)propanamide
CID 1479965

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxyphenyl)-N'-(3-methyl-2-pyridinyl)oxamide?
The IUPAC name of N-(4-hydroxyphenyl)-N'-(3-methyl-2-pyridinyl)oxamide (CID 44997063) is N-(4-hydroxyphenyl)-N'-(3-methyl-2-pyridinyl)oxamide.
What is the SMILES notation for N-(4-hydroxyphenyl)-N'-(3-methyl-2-pyridinyl)oxamide?
The canonical SMILES for N-(4-hydroxyphenyl)-N'-(3-methyl-2-pyridinyl)oxamide is Cc1cccnc1NC(=O)C(=O)Nc1ccc(O)cc1.
What is the InChIKey of N-(4-hydroxyphenyl)-N'-(3-methyl-2-pyridinyl)oxamide?
The InChIKey is ATIPNEHGKPLBMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3/c1-9-3-2-8-15-12(9)17-14(20)13(19)16-10-4-6-11(18)7-5-10/h2-8,18H,1H3,(H,16,19)(H,15,17,20).
What are the key properties of N-(4-hydroxyphenyl)-N'-(3-methyl-2-pyridinyl)oxamide?
N-(4-hydroxyphenyl)-N'-(3-methyl-2-pyridinyl)oxamide has a molecular weight of 271.28 g/mol, XLogP of 1.67, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxyphenyl)-N'-(3-methyl-2-pyridinyl)oxamide is sourced from PubChem (CID 44997063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).