1-(3-ethyl-1,2-dimethylindol-5-yl)-3-pyridin-2-ylurea

C18H20N4O — CID 19016482

IUPAC1-(3-ethyl-1,2-dimethylindol-5-yl)-3-pyridin-2-ylurea
SMILESCCc1c(C)n(C)c2ccc(NC(=O)Nc3ccccn3)cc12
InChIInChI=1S/C18H20N4O/c1-4-14-12(2)22(3)16-9-8-13(11-15(14)16)20-18(23)21-17-7-5-6-10-19-17/h5-11H,4H2,1-3H3,(H2,19,20,21,23)
InChIKeySPGYKNHGPRWVCA-UHFFFAOYSA-N
MW308.38 g/mol
LogP4.09
Rot. Bonds3

About 1-(3-ethyl-1,2-dimethylindol-5-yl)-3-pyridin-2-ylurea

1-(3-ethyl-1,2-dimethylindol-5-yl)-3-pyridin-2-ylurea (PubChem CID 19016482) has the molecular formula C18H20N4O and a molecular weight of 308.38 g/mol. Its IUPAC name is 1-(3-ethyl-1,2-dimethylindol-5-yl)-3-pyridin-2-ylurea.

Molecular Properties

Compound Name1-(3-ethyl-1,2-dimethylindol-5-yl)-3-pyridin-2-ylurea
PubChem CID19016482
Molecular FormulaC18H20N4O
Molecular Weight308.38 g/mol
Exact Mass308.16
IUPAC Name1-(3-ethyl-1,2-dimethylindol-5-yl)-3-pyridin-2-ylurea
SMILESCCc1c(C)n(C)c2ccc(NC(=O)Nc3ccccn3)cc12
InChIInChI=1S/C18H20N4O/c1-4-14-12(2)22(3)16-9-8-13(11-15(14)16)20-18(23)21-17-7-5-6-10-19-17/h5-11H,4H2,1-3H3,(H2,19,20,21,23)
InChIKeySPGYKNHGPRWVCA-UHFFFAOYSA-N
XLogP4.09
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

1-(4-ethylphenyl)-3-pyridin-2-ylurea
CID 6469550
1-(4-fluorophenyl)-3-pyridin-2-ylurea
CID 17267918
1-(3-methylsulfanylphenyl)-3-pyridin-2-ylurea
CID 46891619
1-[3-[2-(dimethylamino)ethyl]-2-oxo-1,3-benzoxazol-5-yl]-3-pyridin-2-ylurea
CID 51099669
1-(4-cyanophenyl)-3-pyridin-2-ylurea
CID 108894633
1-[2-(pentan-3-ylamino)ethyl]-3-pyridin-2-ylurea
CID 138623124
2-chloro-4-(pyridin-2-ylcarbamoylamino)benzenesulfonyl chloride
CID 2757894
[4-[(9-methylcarbazol-3-yl)carbamoylamino]phenyl] acetate
CID 144925706
1-(4-ethyl-2-methoxyphenyl)-3-pyridin-2-ylurea
CID 18682310
1-hydroxy-3-pyridin-2-ylurea
CID 20612761
molecular hydrogen;N-pyridin-2-ylbutanamide
CID 142960531
1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3-(2-ethylphenyl)urea
CID 56790026

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-1,2-dimethylindol-5-yl)-3-pyridin-2-ylurea?
The IUPAC name of 1-(3-ethyl-1,2-dimethylindol-5-yl)-3-pyridin-2-ylurea (CID 19016482) is 1-(3-ethyl-1,2-dimethylindol-5-yl)-3-pyridin-2-ylurea.
What is the SMILES notation for 1-(3-ethyl-1,2-dimethylindol-5-yl)-3-pyridin-2-ylurea?
The canonical SMILES for 1-(3-ethyl-1,2-dimethylindol-5-yl)-3-pyridin-2-ylurea is CCc1c(C)n(C)c2ccc(NC(=O)Nc3ccccn3)cc12.
What is the InChIKey of 1-(3-ethyl-1,2-dimethylindol-5-yl)-3-pyridin-2-ylurea?
The InChIKey is SPGYKNHGPRWVCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-4-14-12(2)22(3)16-9-8-13(11-15(14)16)20-18(23)21-17-7-5-6-10-19-17/h5-11H,4H2,1-3H3,(H2,19,20,21,23).
What are the key properties of 1-(3-ethyl-1,2-dimethylindol-5-yl)-3-pyridin-2-ylurea?
1-(3-ethyl-1,2-dimethylindol-5-yl)-3-pyridin-2-ylurea has a molecular weight of 308.38 g/mol, XLogP of 4.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-1,2-dimethylindol-5-yl)-3-pyridin-2-ylurea is sourced from PubChem (CID 19016482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).