1-(4,6-dimethyl-2-pyridinyl)-3-(2-oxo-1,3-dihydroindol-5-yl)urea

C16H16N4O2 — CID 75523388

IUPAC1-(4,6-dimethyl-2-pyridinyl)-3-(2-oxo-1,3-dihydroindol-5-yl)urea
SMILESCc1cc(C)nc(NC(=O)Nc2ccc3c(c2)CC(=O)N3)c1
InChIInChI=1S/C16H16N4O2/c1-9-5-10(2)17-14(6-9)20-16(22)18-12-3-4-13-11(7-12)8-15(21)19-13/h3-7H,8H2,1-2H3,(H,19,21)(H2,17,18,20,22)
InChIKeyLKKACYROLCOUJT-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.84
Rot. Bonds2

About 1-(4,6-dimethyl-2-pyridinyl)-3-(2-oxo-1,3-dihydroindol-5-yl)urea

1-(4,6-dimethyl-2-pyridinyl)-3-(2-oxo-1,3-dihydroindol-5-yl)urea (PubChem CID 75523388) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 1-(4,6-dimethyl-2-pyridinyl)-3-(2-oxo-1,3-dihydroindol-5-yl)urea.

Molecular Properties

Compound Name1-(4,6-dimethyl-2-pyridinyl)-3-(2-oxo-1,3-dihydroindol-5-yl)urea
PubChem CID75523388
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC Name1-(4,6-dimethyl-2-pyridinyl)-3-(2-oxo-1,3-dihydroindol-5-yl)urea
SMILESCc1cc(C)nc(NC(=O)Nc2ccc3c(c2)CC(=O)N3)c1
InChIInChI=1S/C16H16N4O2/c1-9-5-10(2)17-14(6-9)20-16(22)18-12-3-4-13-11(7-12)8-15(21)19-13/h3-7H,8H2,1-2H3,(H,19,21)(H2,17,18,20,22)
InChIKeyLKKACYROLCOUJT-UHFFFAOYSA-N
XLogP2.84
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-dimethoxyphenyl)-3-(2-oxo-1,3-dihydroindol-5-yl)urea
CID 30375542
1-(4-methylphenyl)-3-(2-oxo-1,3-dihydroindol-6-yl)urea
CID 165032229
1-(4-cyanophenyl)-3-(2-oxo-1,3-dihydroindol-5-yl)urea
CID 155113952
1-(4,6-dimethyl-2-pyridinyl)-3-(1H-indol-5-yl)urea
CID 155412355
1-(2,4-dimethoxyphenyl)-3-(2-oxo-1,3-dihydroindol-5-yl)urea
CID 30375576
1-(2,5-dimethoxyphenyl)-3-(2-oxo-1,3-dihydroindol-5-yl)urea
CID 155113917
5-[1-(3-chloro-5-methylanilino)ethenylamino]-1,3-dihydroindol-2-one
CID 155113869
2,4-dimethyl-N-(2-oxo-1,3-dihydroindol-5-yl)imidazo[1,5-a]pyrimidine-8-carboxamide
CID 121328769
2,2-dimethyl-3-oxo-3-[(2-oxo-1,3-dihydroindol-5-yl)amino]propanoic acid
CID 115163929
(2R)-2-amino-N-(2-oxo-1,3-dihydroindol-5-yl)propanamide
CID 119281522
N-[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-2-oxo-1,3-dihydroindole-5-carboxamide
CID 108797937
N-(3,5-dimethylphenyl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 110700387

Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethyl-2-pyridinyl)-3-(2-oxo-1,3-dihydroindol-5-yl)urea?
The IUPAC name of 1-(4,6-dimethyl-2-pyridinyl)-3-(2-oxo-1,3-dihydroindol-5-yl)urea (CID 75523388) is 1-(4,6-dimethyl-2-pyridinyl)-3-(2-oxo-1,3-dihydroindol-5-yl)urea.
What is the SMILES notation for 1-(4,6-dimethyl-2-pyridinyl)-3-(2-oxo-1,3-dihydroindol-5-yl)urea?
The canonical SMILES for 1-(4,6-dimethyl-2-pyridinyl)-3-(2-oxo-1,3-dihydroindol-5-yl)urea is Cc1cc(C)nc(NC(=O)Nc2ccc3c(c2)CC(=O)N3)c1.
What is the InChIKey of 1-(4,6-dimethyl-2-pyridinyl)-3-(2-oxo-1,3-dihydroindol-5-yl)urea?
The InChIKey is LKKACYROLCOUJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c1-9-5-10(2)17-14(6-9)20-16(22)18-12-3-4-13-11(7-12)8-15(21)19-13/h3-7H,8H2,1-2H3,(H,19,21)(H2,17,18,20,22).
What are the key properties of 1-(4,6-dimethyl-2-pyridinyl)-3-(2-oxo-1,3-dihydroindol-5-yl)urea?
1-(4,6-dimethyl-2-pyridinyl)-3-(2-oxo-1,3-dihydroindol-5-yl)urea has a molecular weight of 296.33 g/mol, XLogP of 2.84, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethyl-2-pyridinyl)-3-(2-oxo-1,3-dihydroindol-5-yl)urea is sourced from PubChem (CID 75523388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).