N'-[4-(cyclohexylcarbamoyl)phenyl]-N-(pyridin-4-ylmethyl)oxamide

C21H24N4O3 — CID 47634027

IUPACN'-[4-(cyclohexylcarbamoyl)phenyl]-N-(pyridin-4-ylmethyl)oxamide
SMILESO=C(NCc1ccncc1)C(=O)Nc1ccc(C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C21H24N4O3/c26-19(24-17-4-2-1-3-5-17)16-6-8-18(9-7-16)25-21(28)20(27)23-14-15-10-12-22-13-11-15/h6-13,17H,1-5,14H2,(H,23,27)(H,24,26)(H,25,28)
InChIKeyVPXURUWZJIYIMW-UHFFFAOYSA-N
MW380.45 g/mol
LogP2.40
Rot. Bonds5

About N'-[4-(cyclohexylcarbamoyl)phenyl]-N-(pyridin-4-ylmethyl)oxamide

N'-[4-(cyclohexylcarbamoyl)phenyl]-N-(pyridin-4-ylmethyl)oxamide (PubChem CID 47634027) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is N'-[4-(cyclohexylcarbamoyl)phenyl]-N-(pyridin-4-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-[4-(cyclohexylcarbamoyl)phenyl]-N-(pyridin-4-ylmethyl)oxamide
PubChem CID47634027
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC NameN'-[4-(cyclohexylcarbamoyl)phenyl]-N-(pyridin-4-ylmethyl)oxamide
SMILESO=C(NCc1ccncc1)C(=O)Nc1ccc(C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C21H24N4O3/c26-19(24-17-4-2-1-3-5-17)16-6-8-18(9-7-16)25-21(28)20(27)23-14-15-10-12-22-13-11-15/h6-13,17H,1-5,14H2,(H,23,27)(H,24,26)(H,25,28)
InChIKeyVPXURUWZJIYIMW-UHFFFAOYSA-N
XLogP2.40
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.40
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

N-cyclohexyl-4-(2-pyridin-4-ylethyl)benzamide
CID 67802758
N-cyclohexylpyridine-4-carboxamide
CID 3436730
N-cyclopentyl-4-(pyridin-3-ylmethylcarbamoylamino)benzamide
CID 51085606
N-cyclopentylpyridine-4-carboxamide
CID 4212000
N-cycloheptyl-4-(pyridin-4-ylmethoxy)benzamide
CID 34947835
4-[(carbamoylamino)methyl]-N-cyclooctylbenzamide
CID 29206004
N'-(4-iodophenyl)-N-(pyridin-4-ylmethyl)oxamide
CID 47224625
N'-(3-bromo-4-methylphenyl)-N-(pyridin-4-ylmethyl)oxamide
CID 108985107
4-acetamido-N-cyclooctylbenzamide
CID 2990044
4-N-cyclohexyl-1-N-(pyridin-4-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109146108
N-cyclohexyl-N'-[4-(prop-2-enylcarbamoyl)phenyl]oxamide
CID 155945860
N,N'-bis[4-(cyclohexylcarbamoyl)phenyl]hexanediamide
CID 43878588

Frequently Asked Questions

What is the IUPAC name of N'-[4-(cyclohexylcarbamoyl)phenyl]-N-(pyridin-4-ylmethyl)oxamide?
The IUPAC name of N'-[4-(cyclohexylcarbamoyl)phenyl]-N-(pyridin-4-ylmethyl)oxamide (CID 47634027) is N'-[4-(cyclohexylcarbamoyl)phenyl]-N-(pyridin-4-ylmethyl)oxamide.
What is the SMILES notation for N'-[4-(cyclohexylcarbamoyl)phenyl]-N-(pyridin-4-ylmethyl)oxamide?
The canonical SMILES for N'-[4-(cyclohexylcarbamoyl)phenyl]-N-(pyridin-4-ylmethyl)oxamide is O=C(NCc1ccncc1)C(=O)Nc1ccc(C(=O)NC2CCCCC2)cc1.
What is the InChIKey of N'-[4-(cyclohexylcarbamoyl)phenyl]-N-(pyridin-4-ylmethyl)oxamide?
The InChIKey is VPXURUWZJIYIMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c26-19(24-17-4-2-1-3-5-17)16-6-8-18(9-7-16)25-21(28)20(27)23-14-15-10-12-22-13-11-15/h6-13,17H,1-5,14H2,(H,23,27)(H,24,26)(H,25,28).
What are the key properties of N'-[4-(cyclohexylcarbamoyl)phenyl]-N-(pyridin-4-ylmethyl)oxamide?
N'-[4-(cyclohexylcarbamoyl)phenyl]-N-(pyridin-4-ylmethyl)oxamide has a molecular weight of 380.45 g/mol, XLogP of 2.40, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(cyclohexylcarbamoyl)phenyl]-N-(pyridin-4-ylmethyl)oxamide is sourced from PubChem (CID 47634027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).