1-[5-(butylamino)-2-pyridinyl]-3-phenylurea

C16H20N4O — CID 113024016

IUPAC1-[5-(butylamino)-2-pyridinyl]-3-phenylurea
SMILESCCCCNc1ccc(NC(=O)Nc2ccccc2)nc1
InChIInChI=1S/C16H20N4O/c1-2-3-11-17-14-9-10-15(18-12-14)20-16(21)19-13-7-5-4-6-8-13/h4-10,12,17H,2-3,11H2,1H3,(H2,18,19,20,21)
InChIKeyKUPLISSABPBJHZ-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.94
Rot. Bonds6

About 1-[5-(butylamino)-2-pyridinyl]-3-phenylurea

1-[5-(butylamino)-2-pyridinyl]-3-phenylurea (PubChem CID 113024016) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-[5-(butylamino)-2-pyridinyl]-3-phenylurea.

Molecular Properties

Compound Name1-[5-(butylamino)-2-pyridinyl]-3-phenylurea
PubChem CID113024016
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name1-[5-(butylamino)-2-pyridinyl]-3-phenylurea
SMILESCCCCNc1ccc(NC(=O)Nc2ccccc2)nc1
InChIInChI=1S/C16H20N4O/c1-2-3-11-17-14-9-10-15(18-12-14)20-16(21)19-13-7-5-4-6-8-13/h4-10,12,17H,2-3,11H2,1H3,(H2,18,19,20,21)
InChIKeyKUPLISSABPBJHZ-UHFFFAOYSA-N
XLogP3.94
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-phenyl-3-[6-(propylamino)-3-pyridinyl]urea
CID 113009091
N-[5-(butylamino)-2-pyridinyl]-3-phenoxypropanamide
CID 113023996
N-[6-(butylamino)-3-pyridinyl]acetamide
CID 113009439
1-[6-(methylamino)-3-pyridinyl]-3-phenylurea
CID 115268499
2-amino-N-[5-(pentylamino)-2-pyridinyl]acetamide
CID 39178282
N-[5-(butylamino)-2-pyridinyl]cyclobutanecarboxamide
CID 113024024
N-(5-anilino-2-pyridinyl)pentanamide
CID 113031172
N-[5-(butylamino)-2-pyridinyl]cyclohexanecarboxamide
CID 113023958
N-[5-(butylamino)-2-pyridinyl]-2-(4-chlorophenyl)acetamide
CID 113023990
4-bromo-N-[5-(butylamino)-2-pyridinyl]benzamide
CID 113023973
N-[5-(butylamino)-2-pyridinyl]-3-methylbenzamide
CID 113023966
N-[6-(butylamino)-3-pyridinyl]-2-methoxybenzamide
CID 113009462

Frequently Asked Questions

What is the IUPAC name of 1-[5-(butylamino)-2-pyridinyl]-3-phenylurea?
The IUPAC name of 1-[5-(butylamino)-2-pyridinyl]-3-phenylurea (CID 113024016) is 1-[5-(butylamino)-2-pyridinyl]-3-phenylurea.
What is the SMILES notation for 1-[5-(butylamino)-2-pyridinyl]-3-phenylurea?
The canonical SMILES for 1-[5-(butylamino)-2-pyridinyl]-3-phenylurea is CCCCNc1ccc(NC(=O)Nc2ccccc2)nc1.
What is the InChIKey of 1-[5-(butylamino)-2-pyridinyl]-3-phenylurea?
The InChIKey is KUPLISSABPBJHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-2-3-11-17-14-9-10-15(18-12-14)20-16(21)19-13-7-5-4-6-8-13/h4-10,12,17H,2-3,11H2,1H3,(H2,18,19,20,21).
What are the key properties of 1-[5-(butylamino)-2-pyridinyl]-3-phenylurea?
1-[5-(butylamino)-2-pyridinyl]-3-phenylurea has a molecular weight of 284.36 g/mol, XLogP of 3.94, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(butylamino)-2-pyridinyl]-3-phenylurea is sourced from PubChem (CID 113024016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).