2-[(6-phenylpyridine-3-carbonyl)amino]ethylcarbamic acid

C15H15N3O3 — CID 135122283

IUPAC2-[(6-phenylpyridine-3-carbonyl)amino]ethylcarbamic acid
SMILESO=C(O)NCCNC(=O)c1ccc(-c2ccccc2)nc1
InChIInChI=1S/C15H15N3O3/c19-14(16-8-9-17-15(20)21)12-6-7-13(18-10-12)11-4-2-1-3-5-11/h1-7,10,17H,8-9H2,(H,16,19)(H,20,21)
InChIKeyQIUDFWXGYMAUJG-UHFFFAOYSA-N
MW285.30 g/mol
LogP1.75
Rot. Bonds5

About 2-[(6-phenylpyridine-3-carbonyl)amino]ethylcarbamic acid

2-[(6-phenylpyridine-3-carbonyl)amino]ethylcarbamic acid (PubChem CID 135122283) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 2-[(6-phenylpyridine-3-carbonyl)amino]ethylcarbamic acid.

Molecular Properties

Compound Name2-[(6-phenylpyridine-3-carbonyl)amino]ethylcarbamic acid
PubChem CID135122283
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name2-[(6-phenylpyridine-3-carbonyl)amino]ethylcarbamic acid
SMILESO=C(O)NCCNC(=O)c1ccc(-c2ccccc2)nc1
InChIInChI=1S/C15H15N3O3/c19-14(16-8-9-17-15(20)21)12-6-7-13(18-10-12)11-4-2-1-3-5-11/h1-7,10,17H,8-9H2,(H,16,19)(H,20,21)
InChIKeyQIUDFWXGYMAUJG-UHFFFAOYSA-N
XLogP1.75
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.75
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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Frequently Asked Questions

What is the IUPAC name of 2-[(6-phenylpyridine-3-carbonyl)amino]ethylcarbamic acid?
The IUPAC name of 2-[(6-phenylpyridine-3-carbonyl)amino]ethylcarbamic acid (CID 135122283) is 2-[(6-phenylpyridine-3-carbonyl)amino]ethylcarbamic acid.
What is the SMILES notation for 2-[(6-phenylpyridine-3-carbonyl)amino]ethylcarbamic acid?
The canonical SMILES for 2-[(6-phenylpyridine-3-carbonyl)amino]ethylcarbamic acid is O=C(O)NCCNC(=O)c1ccc(-c2ccccc2)nc1.
What is the InChIKey of 2-[(6-phenylpyridine-3-carbonyl)amino]ethylcarbamic acid?
The InChIKey is QIUDFWXGYMAUJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c19-14(16-8-9-17-15(20)21)12-6-7-13(18-10-12)11-4-2-1-3-5-11/h1-7,10,17H,8-9H2,(H,16,19)(H,20,21).
What are the key properties of 2-[(6-phenylpyridine-3-carbonyl)amino]ethylcarbamic acid?
2-[(6-phenylpyridine-3-carbonyl)amino]ethylcarbamic acid has a molecular weight of 285.30 g/mol, XLogP of 1.75, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-phenylpyridine-3-carbonyl)amino]ethylcarbamic acid is sourced from PubChem (CID 135122283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).