1-phenyl-3-[6-(propylamino)-3-pyridinyl]urea

C15H18N4O — CID 113009091

IUPAC1-phenyl-3-[6-(propylamino)-3-pyridinyl]urea
SMILESCCCNc1ccc(NC(=O)Nc2ccccc2)cn1
InChIInChI=1S/C15H18N4O/c1-2-10-16-14-9-8-13(11-17-14)19-15(20)18-12-6-4-3-5-7-12/h3-9,11H,2,10H2,1H3,(H,16,17)(H2,18,19,20)
InChIKeyATNZFEPJGAVPKB-UHFFFAOYSA-N
MW270.34 g/mol
LogP3.55
Rot. Bonds5

About 1-phenyl-3-[6-(propylamino)-3-pyridinyl]urea

1-phenyl-3-[6-(propylamino)-3-pyridinyl]urea (PubChem CID 113009091) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 1-phenyl-3-[6-(propylamino)-3-pyridinyl]urea.

Molecular Properties

Compound Name1-phenyl-3-[6-(propylamino)-3-pyridinyl]urea
PubChem CID113009091
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name1-phenyl-3-[6-(propylamino)-3-pyridinyl]urea
SMILESCCCNc1ccc(NC(=O)Nc2ccccc2)cn1
InChIInChI=1S/C15H18N4O/c1-2-10-16-14-9-8-13(11-17-14)19-15(20)18-12-6-4-3-5-7-12/h3-9,11H,2,10H2,1H3,(H,16,17)(H2,18,19,20)
InChIKeyATNZFEPJGAVPKB-UHFFFAOYSA-N
XLogP3.55
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 53.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(butylamino)-2-pyridinyl]-3-phenylurea
CID 113024016
1-propan-2-yl-3-[6-(propylamino)-3-pyridinyl]urea
CID 113009101
1-[6-(methylamino)-3-pyridinyl]-3-phenylurea
CID 115268499
1-[6-[2-(4-methoxyphenoxy)ethylamino]-3-pyridinyl]-3-phenylurea
CID 113014714
2-ethyl-N-[6-(propylamino)-3-pyridinyl]butanamide
CID 113009034
1-phenyl-3-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]urea
CID 113012942
1-[6-(2-ethylanilino)-3-pyridinyl]-3-phenylurea
CID 113017398
1-[6-[(2-methoxyphenyl)methylamino]-3-pyridinyl]-3-phenylurea
CID 113012390
N-[6-(propylamino)-3-pyridinyl]cyclopropanecarboxamide
CID 113009028
1-[6-[2-(cyclohexen-1-yl)ethylamino]-3-pyridinyl]-3-phenylurea
CID 113010275
N-[6-(butylamino)-3-pyridinyl]acetamide
CID 113009439
5-N-ethyl-2-N-propylpyridine-2,5-diamine
CID 82104306

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-[6-(propylamino)-3-pyridinyl]urea?
The IUPAC name of 1-phenyl-3-[6-(propylamino)-3-pyridinyl]urea (CID 113009091) is 1-phenyl-3-[6-(propylamino)-3-pyridinyl]urea.
What is the SMILES notation for 1-phenyl-3-[6-(propylamino)-3-pyridinyl]urea?
The canonical SMILES for 1-phenyl-3-[6-(propylamino)-3-pyridinyl]urea is CCCNc1ccc(NC(=O)Nc2ccccc2)cn1.
What is the InChIKey of 1-phenyl-3-[6-(propylamino)-3-pyridinyl]urea?
The InChIKey is ATNZFEPJGAVPKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-2-10-16-14-9-8-13(11-17-14)19-15(20)18-12-6-4-3-5-7-12/h3-9,11H,2,10H2,1H3,(H,16,17)(H2,18,19,20).
What are the key properties of 1-phenyl-3-[6-(propylamino)-3-pyridinyl]urea?
1-phenyl-3-[6-(propylamino)-3-pyridinyl]urea has a molecular weight of 270.34 g/mol, XLogP of 3.55, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-[6-(propylamino)-3-pyridinyl]urea is sourced from PubChem (CID 113009091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).