1-(1,4-dimethylindol-5-yl)-3-pyridin-3-ylurea

C16H16N4O — CID 19016522

IUPAC1-(1,4-dimethylindol-5-yl)-3-pyridin-3-ylurea
SMILESCc1c(NC(=O)Nc2cccnc2)ccc2c1ccn2C
InChIInChI=1S/C16H16N4O/c1-11-13-7-9-20(2)15(13)6-5-14(11)19-16(21)18-12-4-3-8-17-10-12/h3-10H,1-2H3,(H2,18,19,21)
InChIKeyLZOJUGMEZWQTDZ-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.53
Rot. Bonds2

About 1-(1,4-dimethylindol-5-yl)-3-pyridin-3-ylurea

1-(1,4-dimethylindol-5-yl)-3-pyridin-3-ylurea (PubChem CID 19016522) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 1-(1,4-dimethylindol-5-yl)-3-pyridin-3-ylurea.

Molecular Properties

Compound Name1-(1,4-dimethylindol-5-yl)-3-pyridin-3-ylurea
PubChem CID19016522
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name1-(1,4-dimethylindol-5-yl)-3-pyridin-3-ylurea
SMILESCc1c(NC(=O)Nc2cccnc2)ccc2c1ccn2C
InChIInChI=1S/C16H16N4O/c1-11-13-7-9-20(2)15(13)6-5-14(11)19-16(21)18-12-4-3-8-17-10-12/h3-10H,1-2H3,(H2,18,19,21)
InChIKeyLZOJUGMEZWQTDZ-UHFFFAOYSA-N
XLogP3.53
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methylphenyl)-3-pyridin-3-ylurea
CID 790714
1-(4-fluoro-2-methylphenyl)-3-pyridin-3-ylurea
CID 47126026
1-(4-bromo-2-methylphenyl)-3-pyridin-3-ylurea
CID 47126030
1-(6-methyl-3-pyridinyl)-3-pyridin-3-ylurea
CID 108865035
1,3-dimethyl-N-pyridin-3-ylindole-5-carboxamide
CID 145363454
1-(2-methylpyrazol-3-yl)-3-pyridin-3-ylurea
CID 108813744
1-pyridin-3-yl-3-[4-[4-(pyridin-3-ylcarbamoylamino)phenyl]phenyl]urea
CID 23996528
[4-(pyridin-3-ylcarbamoyl)phenyl] 1-methylindole-4-carboxylate
CID 86882782
1-(2,4-dichlorophenyl)-3-pyridin-3-ylurea
CID 3994543
3-(pyridin-3-ylcarbamoylamino)pyridine-2-carboxylic acid
CID 104743150
1-(6-methyl-2-pyridinyl)-3-pyridin-3-ylurea
CID 10561311
1-(2,3-dichlorophenyl)-3-pyridin-3-ylurea
CID 51062925

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dimethylindol-5-yl)-3-pyridin-3-ylurea?
The IUPAC name of 1-(1,4-dimethylindol-5-yl)-3-pyridin-3-ylurea (CID 19016522) is 1-(1,4-dimethylindol-5-yl)-3-pyridin-3-ylurea.
What is the SMILES notation for 1-(1,4-dimethylindol-5-yl)-3-pyridin-3-ylurea?
The canonical SMILES for 1-(1,4-dimethylindol-5-yl)-3-pyridin-3-ylurea is Cc1c(NC(=O)Nc2cccnc2)ccc2c1ccn2C.
What is the InChIKey of 1-(1,4-dimethylindol-5-yl)-3-pyridin-3-ylurea?
The InChIKey is LZOJUGMEZWQTDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-11-13-7-9-20(2)15(13)6-5-14(11)19-16(21)18-12-4-3-8-17-10-12/h3-10H,1-2H3,(H2,18,19,21).
What are the key properties of 1-(1,4-dimethylindol-5-yl)-3-pyridin-3-ylurea?
1-(1,4-dimethylindol-5-yl)-3-pyridin-3-ylurea has a molecular weight of 280.33 g/mol, XLogP of 3.53, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dimethylindol-5-yl)-3-pyridin-3-ylurea is sourced from PubChem (CID 19016522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).