1-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-3-(1-cyclopropylethyl)urea

C14H19N5O — CID 47240884

IUPAC1-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-3-(1-cyclopropylethyl)urea
SMILESCC(NC(=O)NCCNc1ncccc1C#N)C1CC1
InChIInChI=1S/C14H19N5O/c1-10(11-4-5-11)19-14(20)18-8-7-17-13-12(9-15)3-2-6-16-13/h2-3,6,10-11H,4-5,7-8H2,1H3,(H,16,17)(H2,18,19,20)
InChIKeyCIBMESOYRSHLLK-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.46
Rot. Bonds6

About 1-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-3-(1-cyclopropylethyl)urea

1-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-3-(1-cyclopropylethyl)urea (PubChem CID 47240884) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 1-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-3-(1-cyclopropylethyl)urea.

Molecular Properties

Compound Name1-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-3-(1-cyclopropylethyl)urea
PubChem CID47240884
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name1-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-3-(1-cyclopropylethyl)urea
SMILESCC(NC(=O)NCCNc1ncccc1C#N)C1CC1
InChIInChI=1S/C14H19N5O/c1-10(11-4-5-11)19-14(20)18-8-7-17-13-12(9-15)3-2-6-16-13/h2-3,6,10-11H,4-5,7-8H2,1H3,(H,16,17)(H2,18,19,20)
InChIKeyCIBMESOYRSHLLK-UHFFFAOYSA-N
XLogP1.46
TPSA89.84 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.46
H-Bond Donors ≤ 53
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-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-3-(1-cyclopropylethyl)urea?
The IUPAC name of 1-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-3-(1-cyclopropylethyl)urea (CID 47240884) is 1-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-3-(1-cyclopropylethyl)urea.
What is the SMILES notation for 1-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-3-(1-cyclopropylethyl)urea?
The canonical SMILES for 1-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-3-(1-cyclopropylethyl)urea is CC(NC(=O)NCCNc1ncccc1C#N)C1CC1.
What is the InChIKey of 1-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-3-(1-cyclopropylethyl)urea?
The InChIKey is CIBMESOYRSHLLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-10(11-4-5-11)19-14(20)18-8-7-17-13-12(9-15)3-2-6-16-13/h2-3,6,10-11H,4-5,7-8H2,1H3,(H,16,17)(H2,18,19,20).
What are the key properties of 1-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-3-(1-cyclopropylethyl)urea?
1-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-3-(1-cyclopropylethyl)urea has a molecular weight of 273.34 g/mol, XLogP of 1.46, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-3-(1-cyclopropylethyl)urea is sourced from PubChem (CID 47240884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).