N-[3-(cyclopropylcarbamoyl)phenyl]-N'-(1-pyridin-4-ylethyl)oxamide

C19H20N4O3 — CID 86995840

IUPACN-[3-(cyclopropylcarbamoyl)phenyl]-N'-(1-pyridin-4-ylethyl)oxamide
SMILESCC(NC(=O)C(=O)Nc1cccc(C(=O)NC2CC2)c1)c1ccncc1
InChIInChI=1S/C19H20N4O3/c1-12(13-7-9-20-10-8-13)21-18(25)19(26)23-16-4-2-3-14(11-16)17(24)22-15-5-6-15/h2-4,7-12,15H,5-6H2,1H3,(H,21,25)(H,22,24)(H,23,26)
InChIKeyVBLGTGVCTQWGRS-UHFFFAOYSA-N
MW352.39 g/mol
LogP1.79
Rot. Bonds5

About N-[3-(cyclopropylcarbamoyl)phenyl]-N'-(1-pyridin-4-ylethyl)oxamide

N-[3-(cyclopropylcarbamoyl)phenyl]-N'-(1-pyridin-4-ylethyl)oxamide (PubChem CID 86995840) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is N-[3-(cyclopropylcarbamoyl)phenyl]-N'-(1-pyridin-4-ylethyl)oxamide.

Molecular Properties

Compound NameN-[3-(cyclopropylcarbamoyl)phenyl]-N'-(1-pyridin-4-ylethyl)oxamide
PubChem CID86995840
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC NameN-[3-(cyclopropylcarbamoyl)phenyl]-N'-(1-pyridin-4-ylethyl)oxamide
SMILESCC(NC(=O)C(=O)Nc1cccc(C(=O)NC2CC2)c1)c1ccncc1
InChIInChI=1S/C19H20N4O3/c1-12(13-7-9-20-10-8-13)21-18(25)19(26)23-16-4-2-3-14(11-16)17(24)22-15-5-6-15/h2-4,7-12,15H,5-6H2,1H3,(H,21,25)(H,22,24)(H,23,26)
InChIKeyVBLGTGVCTQWGRS-UHFFFAOYSA-N
XLogP1.79
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[[(2S)-2-aminopropanoyl]amino]-N-cyclopropylbenzamide
CID 78969031
1-cyclopropyl-3-(1-pyridin-4-ylethyl)urea
CID 115575131
N-[3-(1-methylimidazole-2-carbonyl)phenyl]-N'-[(1R)-1-phenylethyl]oxamide
CID 124655998
N-piperidin-4-yl-3-(propan-2-ylcarbamoylamino)benzamide
CID 119387911
3-(carbamoylamino)-N-cyclopropylbenzamide
CID 9210111
3-acetamido-N-(4-hydroxycyclohexyl)benzamide
CID 43389328
3-(cyclopropanecarbonylamino)-N-[3-(cyclopropylcarbamoyl)phenyl]benzamide
CID 30127139
3-[[2-[3-(cyclohexylcarbamoyl)anilino]-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide
CID 54842054
N-cyclopropyl-3-[(2,2-diphenylacetyl)amino]benzamide
CID 16567529
N-[3-(cyclopropylcarbamoyl)phenyl]-3,5-dimethylbenzamide
CID 16567528
N-cyclopropyl-3-(cyclopropylamino)benzamide
CID 103438850
N-cyclopropyl-3-(2-phenylpropylcarbamoylamino)benzamide
CID 47033148

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropylcarbamoyl)phenyl]-N'-(1-pyridin-4-ylethyl)oxamide?
The IUPAC name of N-[3-(cyclopropylcarbamoyl)phenyl]-N'-(1-pyridin-4-ylethyl)oxamide (CID 86995840) is N-[3-(cyclopropylcarbamoyl)phenyl]-N'-(1-pyridin-4-ylethyl)oxamide.
What is the SMILES notation for N-[3-(cyclopropylcarbamoyl)phenyl]-N'-(1-pyridin-4-ylethyl)oxamide?
The canonical SMILES for N-[3-(cyclopropylcarbamoyl)phenyl]-N'-(1-pyridin-4-ylethyl)oxamide is CC(NC(=O)C(=O)Nc1cccc(C(=O)NC2CC2)c1)c1ccncc1.
What is the InChIKey of N-[3-(cyclopropylcarbamoyl)phenyl]-N'-(1-pyridin-4-ylethyl)oxamide?
The InChIKey is VBLGTGVCTQWGRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-12(13-7-9-20-10-8-13)21-18(25)19(26)23-16-4-2-3-14(11-16)17(24)22-15-5-6-15/h2-4,7-12,15H,5-6H2,1H3,(H,21,25)(H,22,24)(H,23,26).
What are the key properties of N-[3-(cyclopropylcarbamoyl)phenyl]-N'-(1-pyridin-4-ylethyl)oxamide?
N-[3-(cyclopropylcarbamoyl)phenyl]-N'-(1-pyridin-4-ylethyl)oxamide has a molecular weight of 352.39 g/mol, XLogP of 1.79, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropylcarbamoyl)phenyl]-N'-(1-pyridin-4-ylethyl)oxamide is sourced from PubChem (CID 86995840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).