1-(3-cyano-1-methylindol-6-yl)-3-phenylurea

C17H14N4O — CID 510913

IUPAC1-(3-cyano-1-methylindol-6-yl)-3-phenylurea
SMILESCn1cc(C#N)c2ccc(NC(=O)Nc3ccccc3)cc21
InChIInChI=1S/C17H14N4O/c1-21-11-12(10-18)15-8-7-14(9-16(15)21)20-17(22)19-13-5-3-2-4-6-13/h2-9,11H,1H3,(H2,19,20,22)
InChIKeyDKHWZIZMXRFFLI-UHFFFAOYSA-N
MW290.33 g/mol
LogP3.69
Rot. Bonds2

About 1-(3-cyano-1-methylindol-6-yl)-3-phenylurea

1-(3-cyano-1-methylindol-6-yl)-3-phenylurea (PubChem CID 510913) has the molecular formula C17H14N4O and a molecular weight of 290.33 g/mol. Its IUPAC name is 1-(3-cyano-1-methylindol-6-yl)-3-phenylurea.

Molecular Properties

Compound Name1-(3-cyano-1-methylindol-6-yl)-3-phenylurea
PubChem CID510913
Molecular FormulaC17H14N4O
Molecular Weight290.33 g/mol
Exact Mass290.12
IUPAC Name1-(3-cyano-1-methylindol-6-yl)-3-phenylurea
SMILESCn1cc(C#N)c2ccc(NC(=O)Nc3ccccc3)cc21
InChIInChI=1S/C17H14N4O/c1-21-11-12(10-18)15-8-7-14(9-16(15)21)20-17(22)19-13-5-3-2-4-6-13/h2-9,11H,1H3,(H2,19,20,22)
InChIKeyDKHWZIZMXRFFLI-UHFFFAOYSA-N
XLogP3.69
TPSA69.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethylphenyl)-3-(1H-indol-3-yl)urea
CID 7616033
3-1H-indol-4-yl-1-{[4-(trifluoromethyl)phenyl]methyl}urea
CID 10314759
N-(3-(4-cyanophenyl)-1-isopropyl-1H-indol-6-yl)methanesulfonamide
CID 24739997
(R)-N-(1-sec-butyl-3-(4-cyanophenyl)-1H-indol-6-yl)methanesulfonamide
CID 24740156
1-[2-(3-Prop-1-en-2-ylphenyl)propan-2-yl]-3-quinolin-7-ylurea
CID 67473132
3-(5,6,7,8-Tetrahydro-9-isopropylcarbazol-3-yl)-1-methyl-1-(2-pyridin-4-ylethyl)urea
CID 11589975
1-[(3-fluorophenyl)methyl]-3-1H-indol-4-ylurea
CID 24768221
4-(1H-indol-6-ylamino)-5-styrylnicotinonitrile
CID 45485036
N-(4-methylphenyl)-4-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 10342552
(S)-N-(1-sec-butyl-3-(4-cyanophenyl)-1H-indol-6-yl)methanesulfonamide
CID 24739672
4-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]-N-phenyl-3,6-dihydro-2H-pyridine-1-carboxamide
CID 44342722
N-acetyl-N-(4-cyano-5H-pyrido[4,3-b]indol-3-yl)acetamide
CID 797821

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyano-1-methylindol-6-yl)-3-phenylurea?
The IUPAC name of 1-(3-cyano-1-methylindol-6-yl)-3-phenylurea (CID 510913) is 1-(3-cyano-1-methylindol-6-yl)-3-phenylurea.
What is the SMILES notation for 1-(3-cyano-1-methylindol-6-yl)-3-phenylurea?
The canonical SMILES for 1-(3-cyano-1-methylindol-6-yl)-3-phenylurea is Cn1cc(C#N)c2ccc(NC(=O)Nc3ccccc3)cc21.
What is the InChIKey of 1-(3-cyano-1-methylindol-6-yl)-3-phenylurea?
The InChIKey is DKHWZIZMXRFFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O/c1-21-11-12(10-18)15-8-7-14(9-16(15)21)20-17(22)19-13-5-3-2-4-6-13/h2-9,11H,1H3,(H2,19,20,22).
What are the key properties of 1-(3-cyano-1-methylindol-6-yl)-3-phenylurea?
1-(3-cyano-1-methylindol-6-yl)-3-phenylurea has a molecular weight of 290.33 g/mol, XLogP of 3.69, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyano-1-methylindol-6-yl)-3-phenylurea is sourced from PubChem (CID 510913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).