1-(4-butylphenyl)-3-(pyridine-4-carbonylamino)urea

C17H20N4O2 — CID 86577325

IUPAC1-(4-butylphenyl)-3-(pyridine-4-carbonylamino)urea
SMILESCCCCc1ccc(NC(=O)NNC(=O)c2ccncc2)cc1
InChIInChI=1S/C17H20N4O2/c1-2-3-4-13-5-7-15(8-6-13)19-17(23)21-20-16(22)14-9-11-18-12-10-14/h5-12H,2-4H2,1H3,(H,20,22)(H2,19,21,23)
InChIKeyXSENBMKUSQIBAV-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.89
Rot. Bonds5

About 1-(4-butylphenyl)-3-(pyridine-4-carbonylamino)urea

1-(4-butylphenyl)-3-(pyridine-4-carbonylamino)urea (PubChem CID 86577325) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 1-(4-butylphenyl)-3-(pyridine-4-carbonylamino)urea.

Molecular Properties

Compound Name1-(4-butylphenyl)-3-(pyridine-4-carbonylamino)urea
PubChem CID86577325
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name1-(4-butylphenyl)-3-(pyridine-4-carbonylamino)urea
SMILESCCCCc1ccc(NC(=O)NNC(=O)c2ccncc2)cc1
InChIInChI=1S/C17H20N4O2/c1-2-3-4-13-5-7-15(8-6-13)19-17(23)21-20-16(22)14-9-11-18-12-10-14/h5-12H,2-4H2,1H3,(H,20,22)(H2,19,21,23)
InChIKeyXSENBMKUSQIBAV-UHFFFAOYSA-N
XLogP2.89
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-hexyl-3-(pyridine-4-carbonylamino)urea
CID 24975112
1-heptyl-3-(pyridine-4-carbonylamino)urea
CID 86577414
1-(4-bromophenyl)-3-(4-butylphenyl)urea
CID 108869207
1-(4-butylphenyl)-3-(4-ethylphenyl)urea
CID 4616049
1-(4-butylphenyl)-3-[(4-chlorobenzoyl)amino]thiourea
CID 4873620
4-pentyl-N'-(pyridine-4-carbonyl)pyridine-2-carbohydrazide;hydrochloride
CID 172619042
N'-tetradecanoylpyridine-4-carbohydrazide
CID 54792198
1-(4-butylphenyl)-3-pentan-3-ylurea
CID 17279678
N-(4-ethylphenyl)-4-pentylbenzamide
CID 142206594
N,N'-bis(4-butylphenyl)oxamide
CID 3438016
1-(4-butylphenyl)-3-pyrazin-2-ylurea
CID 17263249
1-(4-butylphenyl)-3-(3,4-dimethylphenyl)urea
CID 108894025

Frequently Asked Questions

What is the IUPAC name of 1-(4-butylphenyl)-3-(pyridine-4-carbonylamino)urea?
The IUPAC name of 1-(4-butylphenyl)-3-(pyridine-4-carbonylamino)urea (CID 86577325) is 1-(4-butylphenyl)-3-(pyridine-4-carbonylamino)urea.
What is the SMILES notation for 1-(4-butylphenyl)-3-(pyridine-4-carbonylamino)urea?
The canonical SMILES for 1-(4-butylphenyl)-3-(pyridine-4-carbonylamino)urea is CCCCc1ccc(NC(=O)NNC(=O)c2ccncc2)cc1.
What is the InChIKey of 1-(4-butylphenyl)-3-(pyridine-4-carbonylamino)urea?
The InChIKey is XSENBMKUSQIBAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-2-3-4-13-5-7-15(8-6-13)19-17(23)21-20-16(22)14-9-11-18-12-10-14/h5-12H,2-4H2,1H3,(H,20,22)(H2,19,21,23).
What are the key properties of 1-(4-butylphenyl)-3-(pyridine-4-carbonylamino)urea?
1-(4-butylphenyl)-3-(pyridine-4-carbonylamino)urea has a molecular weight of 312.37 g/mol, XLogP of 2.89, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylphenyl)-3-(pyridine-4-carbonylamino)urea is sourced from PubChem (CID 86577325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).