1-[5-cyano-2-(ethylamino)-3-pyridinyl]-3-phenylurea

C15H15N5O — CID 154725535

IUPAC1-[5-cyano-2-(ethylamino)-3-pyridinyl]-3-phenylurea
SMILESCCNc1ncc(C#N)cc1NC(=O)Nc1ccccc1
InChIInChI=1S/C15H15N5O/c1-2-17-14-13(8-11(9-16)10-18-14)20-15(21)19-12-6-4-3-5-7-12/h3-8,10H,2H2,1H3,(H,17,18)(H2,19,20,21)
InChIKeyLVLMIYUBKVUFRD-UHFFFAOYSA-N
MW281.32 g/mol
LogP3.03
Rot. Bonds4

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

1-[5-cyano-2-(ethylamino)-3-pyridinyl]-3-phenylurea (PubChem CID 154725535) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is 1-[5-cyano-2-(ethylamino)-3-pyridinyl]-3-phenylurea.

Molecular Properties

Compound Name1-[5-cyano-2-(ethylamino)-3-pyridinyl]-3-phenylurea
PubChem CID154725535
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC Name1-[5-cyano-2-(ethylamino)-3-pyridinyl]-3-phenylurea
SMILESCCNc1ncc(C#N)cc1NC(=O)Nc1ccccc1
InChIInChI=1S/C15H15N5O/c1-2-17-14-13(8-11(9-16)10-18-14)20-15(21)19-12-6-4-3-5-7-12/h3-8,10H,2H2,1H3,(H,17,18)(H2,19,20,21)
InChIKeyLVLMIYUBKVUFRD-UHFFFAOYSA-N
XLogP3.03
TPSA89.84 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-cyanophenyl)-3-(2-ethylphenyl)urea
CID 108991489
1-[5-[(5-cyano-2-pyridinyl)amino]-3-pyridinyl]-3-phenylurea
CID 154724914
5-bromo-N-(3-cyanophenyl)-2-(ethylamino)pyridine-3-carboxamide
CID 62165850
2-[5-cyano-2-(ethylamino)-3-pyridinyl]-N-(4-methyl-3-pyridinyl)acetamide
CID 154704202
1-[5-(3-cyanoanilino)-2-pyridinyl]-3-phenylurea
CID 113037197
N-(2-chloro-5-cyanophenyl)-5-(ethylamino)pyridine-2-carboxamide
CID 104641827
N-(4-cyanophenyl)-4-(ethylamino)-6-methylpyridine-3-carboxamide
CID 81239209
1-(3-cyano-2-pyridinyl)-3-phenylurea
CID 110472230
2-[(4-cyanophenyl)carbamoylamino]benzoic acid
CID 16792146
3-[(3-cyanophenyl)carbamoylamino]-4-methyl-N-phenylbenzamide
CID 141480879
N-[3-[(4-cyanophenyl)carbamoylamino]phenyl]acetamide
CID 108884114
1-(3-cyanophenyl)-3-pyridin-4-ylurea
CID 110706525

Frequently Asked Questions

What is the IUPAC name of 1-[5-cyano-2-(ethylamino)-3-pyridinyl]-3-phenylurea?
The IUPAC name of 1-[5-cyano-2-(ethylamino)-3-pyridinyl]-3-phenylurea (CID 154725535) is 1-[5-cyano-2-(ethylamino)-3-pyridinyl]-3-phenylurea.
What is the SMILES notation for 1-[5-cyano-2-(ethylamino)-3-pyridinyl]-3-phenylurea?
The canonical SMILES for 1-[5-cyano-2-(ethylamino)-3-pyridinyl]-3-phenylurea is CCNc1ncc(C#N)cc1NC(=O)Nc1ccccc1.
What is the InChIKey of 1-[5-cyano-2-(ethylamino)-3-pyridinyl]-3-phenylurea?
The InChIKey is LVLMIYUBKVUFRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c1-2-17-14-13(8-11(9-16)10-18-14)20-15(21)19-12-6-4-3-5-7-12/h3-8,10H,2H2,1H3,(H,17,18)(H2,19,20,21).
What are the key properties of 1-[5-cyano-2-(ethylamino)-3-pyridinyl]-3-phenylurea?
1-[5-cyano-2-(ethylamino)-3-pyridinyl]-3-phenylurea has a molecular weight of 281.32 g/mol, XLogP of 3.03, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-cyano-2-(ethylamino)-3-pyridinyl]-3-phenylurea is sourced from PubChem (CID 154725535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).