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

C13H20N4O2 — CID 24975112

IUPAC1-hexyl-3-(pyridine-4-carbonylamino)urea
SMILESCCCCCCNC(=O)NNC(=O)c1ccncc1
InChIInChI=1S/C13H20N4O2/c1-2-3-4-5-8-15-13(19)17-16-12(18)11-6-9-14-10-7-11/h6-7,9-10H,2-5,8H2,1H3,(H,16,18)(H2,15,17,19)
InChIKeyRGPQATPKBVBPJU-UHFFFAOYSA-N
MW264.33 g/mol
LogP1.61
Rot. Bonds6

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

1-hexyl-3-(pyridine-4-carbonylamino)urea (PubChem CID 24975112) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 1-hexyl-3-(pyridine-4-carbonylamino)urea.

Molecular Properties

Compound Name1-hexyl-3-(pyridine-4-carbonylamino)urea
PubChem CID24975112
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name1-hexyl-3-(pyridine-4-carbonylamino)urea
SMILESCCCCCCNC(=O)NNC(=O)c1ccncc1
InChIInChI=1S/C13H20N4O2/c1-2-3-4-5-8-15-13(19)17-16-12(18)11-6-9-14-10-7-11/h6-7,9-10H,2-5,8H2,1H3,(H,16,18)(H2,15,17,19)
InChIKeyRGPQATPKBVBPJU-UHFFFAOYSA-N
XLogP1.61
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-heptyl-3-(pyridine-4-carbonylamino)urea
CID 86577414
N-hexylpyridine-4-carboxamide
CID 3423732
N-pentylpyridine-4-carboxamide
CID 2307296
N'-undecylpyridine-4-carbohydrazide
CID 27387
N-butylpyridine-4-carboxamide
CID 5030535
N'-tetradecanoylpyridine-4-carbohydrazide
CID 54792198
1-(4-butylphenyl)-3-(pyridine-4-carbonylamino)urea
CID 86577325
1-[(2,4-dihydroxybenzoyl)amino]-3-octadecylurea
CID 57158847
N-decyl-4-hydroxybenzamide
CID 15277871
N-propyl-3-[2-(pyridine-4-carbonyl)hydrazinyl]propanamide
CID 27388
4-bromo-N-hexadecylbenzamide
CID 54791037
2-bromo-N-hexylpyridine-4-carboxamide
CID 103752172

Frequently Asked Questions

What is the IUPAC name of 1-hexyl-3-(pyridine-4-carbonylamino)urea?
The IUPAC name of 1-hexyl-3-(pyridine-4-carbonylamino)urea (CID 24975112) is 1-hexyl-3-(pyridine-4-carbonylamino)urea.
What is the SMILES notation for 1-hexyl-3-(pyridine-4-carbonylamino)urea?
The canonical SMILES for 1-hexyl-3-(pyridine-4-carbonylamino)urea is CCCCCCNC(=O)NNC(=O)c1ccncc1.
What is the InChIKey of 1-hexyl-3-(pyridine-4-carbonylamino)urea?
The InChIKey is RGPQATPKBVBPJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-2-3-4-5-8-15-13(19)17-16-12(18)11-6-9-14-10-7-11/h6-7,9-10H,2-5,8H2,1H3,(H,16,18)(H2,15,17,19).
What are the key properties of 1-hexyl-3-(pyridine-4-carbonylamino)urea?
1-hexyl-3-(pyridine-4-carbonylamino)urea has a molecular weight of 264.33 g/mol, XLogP of 1.61, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexyl-3-(pyridine-4-carbonylamino)urea is sourced from PubChem (CID 24975112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).