1-ethyl-3-(5-pyridin-3-yl-2-pyridinyl)urea

C13H14N4O — CID 72712074

IUPAC1-ethyl-3-(5-pyridin-3-yl-2-pyridinyl)urea
SMILESCCNC(=O)Nc1ccc(-c2cccnc2)cn1
InChIInChI=1S/C13H14N4O/c1-2-15-13(18)17-12-6-5-11(9-16-12)10-4-3-7-14-8-10/h3-9H,2H2,1H3,(H2,15,16,17,18)
InChIKeyKUPXSOYALVFUHF-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.29
Rot. Bonds3

About 1-ethyl-3-(5-pyridin-3-yl-2-pyridinyl)urea

1-ethyl-3-(5-pyridin-3-yl-2-pyridinyl)urea (PubChem CID 72712074) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is 1-ethyl-3-(5-pyridin-3-yl-2-pyridinyl)urea.

Molecular Properties

Compound Name1-ethyl-3-(5-pyridin-3-yl-2-pyridinyl)urea
PubChem CID72712074
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC Name1-ethyl-3-(5-pyridin-3-yl-2-pyridinyl)urea
SMILESCCNC(=O)Nc1ccc(-c2cccnc2)cn1
InChIInChI=1S/C13H14N4O/c1-2-15-13(18)17-12-6-5-11(9-16-12)10-4-3-7-14-8-10/h3-9H,2H2,1H3,(H2,15,16,17,18)
InChIKeyKUPXSOYALVFUHF-UHFFFAOYSA-N
XLogP2.29
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-ethyl-3-(5-pyridin-3-yl-2-pyridinyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[5-[2-(ethylcarbamoylamino)-[1,3]thiazolo[5,4-b]pyridin-6-yl]-2-pyridinyl]-2-[ethyl-[(6-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)carbamoyl]amino]acetamide
CID 90693487
N-ethyl-2-phenyl-5-pyridin-3-ylpyridine-3-carboxamide
CID 58539044
1-ethyl-3-[5-(5-methylpyrimidin-2-yl)-7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl]urea
CID 44555361
1-ethyl-3-[3-(pyridin-3-ylamino)pyrido[2,3-b]pyrazin-6-yl]urea
CID 58881916
N-(5-pyridin-4-yl-2-pyridinyl)acetamide
CID 102057434
1-[5-(cyclopropanecarbonyl)-7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl]-3-ethylurea
CID 68901891
1-ethyl-3-[5-(5-propan-2-ylpyrimidin-2-yl)-7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl]urea
CID 45484816
tert-butyl 5-(ethylcarbamoylamino)-2-pyridin-3-ylimidazo[4,5-b]pyridine-3-carboxylate
CID 25210616
CID 89324885
CID 89324885
ethane;1-ethyl-3-(7-methyl-5-pyridin-3-yl-1,3-benzothiazol-2-yl)urea
CID 143598440
2-[6-(ethylcarbamoylamino)-3-pyridinyl]-N-methoxy-1,3-thiazole-5-carboxamide
CID 59208396
N-ethyl-6-pyridin-3-ylpyridine-3-carboxamide
CID 141194620

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(5-pyridin-3-yl-2-pyridinyl)urea?
The IUPAC name of 1-ethyl-3-(5-pyridin-3-yl-2-pyridinyl)urea (CID 72712074) is 1-ethyl-3-(5-pyridin-3-yl-2-pyridinyl)urea.
What is the SMILES notation for 1-ethyl-3-(5-pyridin-3-yl-2-pyridinyl)urea?
The canonical SMILES for 1-ethyl-3-(5-pyridin-3-yl-2-pyridinyl)urea is CCNC(=O)Nc1ccc(-c2cccnc2)cn1.
What is the InChIKey of 1-ethyl-3-(5-pyridin-3-yl-2-pyridinyl)urea?
The InChIKey is KUPXSOYALVFUHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O/c1-2-15-13(18)17-12-6-5-11(9-16-12)10-4-3-7-14-8-10/h3-9H,2H2,1H3,(H2,15,16,17,18).
What are the key properties of 1-ethyl-3-(5-pyridin-3-yl-2-pyridinyl)urea?
1-ethyl-3-(5-pyridin-3-yl-2-pyridinyl)urea has a molecular weight of 242.28 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(5-pyridin-3-yl-2-pyridinyl)urea is sourced from PubChem (CID 72712074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).