1-[3-[(3-amino-2-pyridinyl)amino]propyl]-3-phenylurea

C15H19N5O — CID 82331183

IUPAC1-[3-[(3-amino-2-pyridinyl)amino]propyl]-3-phenylurea
SMILESNc1cccnc1NCCCNC(=O)Nc1ccccc1
InChIInChI=1S/C15H19N5O/c16-13-8-4-9-17-14(13)18-10-5-11-19-15(21)20-12-6-2-1-3-7-12/h1-4,6-9H,5,10-11,16H2,(H,17,18)(H2,19,20,21)
InChIKeyOTCRUEGIGGJBGD-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.29
Rot. Bonds6

About 1-[3-[(3-amino-2-pyridinyl)amino]propyl]-3-phenylurea

1-[3-[(3-amino-2-pyridinyl)amino]propyl]-3-phenylurea (PubChem CID 82331183) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is 1-[3-[(3-amino-2-pyridinyl)amino]propyl]-3-phenylurea.

Molecular Properties

Compound Name1-[3-[(3-amino-2-pyridinyl)amino]propyl]-3-phenylurea
PubChem CID82331183
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name1-[3-[(3-amino-2-pyridinyl)amino]propyl]-3-phenylurea
SMILESNc1cccnc1NCCCNC(=O)Nc1ccccc1
InChIInChI=1S/C15H19N5O/c16-13-8-4-9-17-14(13)18-10-5-11-19-15(21)20-12-6-2-1-3-7-12/h1-4,6-9H,5,10-11,16H2,(H,17,18)(H2,19,20,21)
InChIKeyOTCRUEGIGGJBGD-UHFFFAOYSA-N
XLogP2.29
TPSA92.07 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3-amino-2-pyridinyl)amino]propyl]-3-phenylurea?
The IUPAC name of 1-[3-[(3-amino-2-pyridinyl)amino]propyl]-3-phenylurea (CID 82331183) is 1-[3-[(3-amino-2-pyridinyl)amino]propyl]-3-phenylurea.
What is the SMILES notation for 1-[3-[(3-amino-2-pyridinyl)amino]propyl]-3-phenylurea?
The canonical SMILES for 1-[3-[(3-amino-2-pyridinyl)amino]propyl]-3-phenylurea is Nc1cccnc1NCCCNC(=O)Nc1ccccc1.
What is the InChIKey of 1-[3-[(3-amino-2-pyridinyl)amino]propyl]-3-phenylurea?
The InChIKey is OTCRUEGIGGJBGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c16-13-8-4-9-17-14(13)18-10-5-11-19-15(21)20-12-6-2-1-3-7-12/h1-4,6-9H,5,10-11,16H2,(H,17,18)(H2,19,20,21).
What are the key properties of 1-[3-[(3-amino-2-pyridinyl)amino]propyl]-3-phenylurea?
1-[3-[(3-amino-2-pyridinyl)amino]propyl]-3-phenylurea has a molecular weight of 285.35 g/mol, XLogP of 2.29, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(3-amino-2-pyridinyl)amino]propyl]-3-phenylurea is sourced from PubChem (CID 82331183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).