1-(1H-indol-3-yl)-3-(pyridin-3-ylmethyl)urea

C15H14N4O — CID 18582261

IUPAC1-(1H-indol-3-yl)-3-(pyridin-3-ylmethyl)urea
SMILESO=C(NCc1cccnc1)Nc1c[nH]c2ccccc12
InChIInChI=1S/C15H14N4O/c20-15(18-9-11-4-3-7-16-8-11)19-14-10-17-13-6-2-1-5-12(13)14/h1-8,10,17H,9H2,(H2,18,19,20)
InChIKeyPGXZHJFHKTYAGG-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.88
Rot. Bonds3

About 1-(1H-indol-3-yl)-3-(pyridin-3-ylmethyl)urea

1-(1H-indol-3-yl)-3-(pyridin-3-ylmethyl)urea (PubChem CID 18582261) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 1-(1H-indol-3-yl)-3-(pyridin-3-ylmethyl)urea.

Molecular Properties

Compound Name1-(1H-indol-3-yl)-3-(pyridin-3-ylmethyl)urea
PubChem CID18582261
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name1-(1H-indol-3-yl)-3-(pyridin-3-ylmethyl)urea
SMILESO=C(NCc1cccnc1)Nc1c[nH]c2ccccc12
InChIInChI=1S/C15H14N4O/c20-15(18-9-11-4-3-7-16-8-11)19-14-10-17-13-6-2-1-5-12(13)14/h1-8,10,17H,9H2,(H2,18,19,20)
InChIKeyPGXZHJFHKTYAGG-UHFFFAOYSA-N
XLogP2.88
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-3-(1H-indol-3-yl)urea
CID 7615984
1-(2-iodophenyl)-3-(pyridin-3-ylmethyl)urea
CID 4118863
3-(1H-indol-3-yl)-N-(pyridin-3-ylmethyl)propanamide
CID 4806902
1-(2-aminophenyl)-3-(pyridin-3-ylmethyl)urea
CID 67416886
2-[2-(pyridin-3-ylmethylcarbamoylamino)phenyl]acetic acid
CID 62534222
1-ethyl-3-(1H-indol-3-yl)urea
CID 7615926
azane;1-phenyl-3-(pyridin-3-ylmethyl)urea
CID 175504411
N-(pyridin-3-ylmethyl)-1H-pyrrolo[3,2-c]pyridine-3-carboxamide
CID 123424448
1-(pyridin-3-ylmethyl)-3-(2,3,4-trifluorophenyl)urea
CID 47193920
1-(3-chloro-2-fluorophenyl)-3-(pyridin-3-ylmethyl)urea
CID 47032706
1-(4-chloro-2-fluorophenyl)-3-(pyridin-3-ylmethyl)urea
CID 47125736
3-(1H-indol-3-yl)-N-(pyridin-3-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
CID 135653937

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-3-yl)-3-(pyridin-3-ylmethyl)urea?
The IUPAC name of 1-(1H-indol-3-yl)-3-(pyridin-3-ylmethyl)urea (CID 18582261) is 1-(1H-indol-3-yl)-3-(pyridin-3-ylmethyl)urea.
What is the SMILES notation for 1-(1H-indol-3-yl)-3-(pyridin-3-ylmethyl)urea?
The canonical SMILES for 1-(1H-indol-3-yl)-3-(pyridin-3-ylmethyl)urea is O=C(NCc1cccnc1)Nc1c[nH]c2ccccc12.
What is the InChIKey of 1-(1H-indol-3-yl)-3-(pyridin-3-ylmethyl)urea?
The InChIKey is PGXZHJFHKTYAGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c20-15(18-9-11-4-3-7-16-8-11)19-14-10-17-13-6-2-1-5-12(13)14/h1-8,10,17H,9H2,(H2,18,19,20).
What are the key properties of 1-(1H-indol-3-yl)-3-(pyridin-3-ylmethyl)urea?
1-(1H-indol-3-yl)-3-(pyridin-3-ylmethyl)urea has a molecular weight of 266.30 g/mol, XLogP of 2.88, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-3-yl)-3-(pyridin-3-ylmethyl)urea is sourced from PubChem (CID 18582261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).