1-(4,6-dimethyl-2-pyridinyl)-3-(1H-indol-5-yl)urea

C16H16N4O — CID 155412355

IUPAC1-(4,6-dimethyl-2-pyridinyl)-3-(1H-indol-5-yl)urea
SMILESCc1cc(C)nc(NC(=O)Nc2ccc3[nH]ccc3c2)c1
InChIInChI=1S/C16H16N4O/c1-10-7-11(2)18-15(8-10)20-16(21)19-13-3-4-14-12(9-13)5-6-17-14/h3-9,17H,1-2H3,(H2,18,19,20,21)
InChIKeyBMURWLZNQFJJAX-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.82
Rot. Bonds2

About 1-(4,6-dimethyl-2-pyridinyl)-3-(1H-indol-5-yl)urea

1-(4,6-dimethyl-2-pyridinyl)-3-(1H-indol-5-yl)urea (PubChem CID 155412355) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 1-(4,6-dimethyl-2-pyridinyl)-3-(1H-indol-5-yl)urea.

Molecular Properties

Compound Name1-(4,6-dimethyl-2-pyridinyl)-3-(1H-indol-5-yl)urea
PubChem CID155412355
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name1-(4,6-dimethyl-2-pyridinyl)-3-(1H-indol-5-yl)urea
SMILESCc1cc(C)nc(NC(=O)Nc2ccc3[nH]ccc3c2)c1
InChIInChI=1S/C16H16N4O/c1-10-7-11(2)18-15(8-10)20-16(21)19-13-3-4-14-12(9-13)5-6-17-14/h3-9,17H,1-2H3,(H2,18,19,20,21)
InChIKeyBMURWLZNQFJJAX-UHFFFAOYSA-N
XLogP3.82
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4,6-dimethyl-2-pyridinyl)-3-(2-oxo-1,3-dihydroindol-5-yl)urea
CID 75523388
1-(2-fluorophenyl)-3-(1H-indol-5-yl)urea
CID 155412366
2-amino-N-(1H-indol-5-yl)-2-(4-methylphenyl)acetamide
CID 106151228
N-(1H-indol-5-yl)prop-2-enamide
CID 61251524
3-(1H-indol-5-ylamino)-2-methyl-3-oxopropanoic acid
CID 114898152
1-[3-(1,1-difluoroethylsulfanyl)phenyl]-3-(1H-indol-5-yl)urea
CID 155742454
ethyl (2R,3S)-3-(1H-indol-5-ylcarbamoylamino)-2-methylbutanoate
CID 124625330
N-(1H-indol-5-yl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 143403398
N-(4-methylphenyl)-1H-indol-5-amine
CID 58867969
1-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-3-(1H-indol-5-yl)urea
CID 95312253
1-(1H-indol-5-yl)-3-[(1S)-1-phenylpropyl]urea
CID 155432644
4-(1H-indol-5-ylamino)-4-oxobutanoic acid
CID 54867490

Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethyl-2-pyridinyl)-3-(1H-indol-5-yl)urea?
The IUPAC name of 1-(4,6-dimethyl-2-pyridinyl)-3-(1H-indol-5-yl)urea (CID 155412355) is 1-(4,6-dimethyl-2-pyridinyl)-3-(1H-indol-5-yl)urea.
What is the SMILES notation for 1-(4,6-dimethyl-2-pyridinyl)-3-(1H-indol-5-yl)urea?
The canonical SMILES for 1-(4,6-dimethyl-2-pyridinyl)-3-(1H-indol-5-yl)urea is Cc1cc(C)nc(NC(=O)Nc2ccc3[nH]ccc3c2)c1.
What is the InChIKey of 1-(4,6-dimethyl-2-pyridinyl)-3-(1H-indol-5-yl)urea?
The InChIKey is BMURWLZNQFJJAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-10-7-11(2)18-15(8-10)20-16(21)19-13-3-4-14-12(9-13)5-6-17-14/h3-9,17H,1-2H3,(H2,18,19,20,21).
What are the key properties of 1-(4,6-dimethyl-2-pyridinyl)-3-(1H-indol-5-yl)urea?
1-(4,6-dimethyl-2-pyridinyl)-3-(1H-indol-5-yl)urea has a molecular weight of 280.33 g/mol, XLogP of 3.82, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethyl-2-pyridinyl)-3-(1H-indol-5-yl)urea is sourced from PubChem (CID 155412355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).