1-benzyl-3-[4-(3,3-dimethyl-2-oxoindol-1-yl)-2-pyridinyl]urea

C23H22N4O2 — CID 66971371

IUPAC1-benzyl-3-[4-(3,3-dimethyl-2-oxoindol-1-yl)-2-pyridinyl]urea
SMILESCC1(C)C(=O)N(c2ccnc(NC(=O)NCc3ccccc3)c2)c2ccccc21
InChIInChI=1S/C23H22N4O2/c1-23(2)18-10-6-7-11-19(18)27(21(23)28)17-12-13-24-20(14-17)26-22(29)25-15-16-8-4-3-5-9-16/h3-14H,15H2,1-2H3,(H2,24,25,26,29)
InChIKeyBFOZWKQWTJIJNQ-UHFFFAOYSA-N
MW386.46 g/mol
LogP4.36
Rot. Bonds4

About 1-benzyl-3-[4-(3,3-dimethyl-2-oxoindol-1-yl)-2-pyridinyl]urea

1-benzyl-3-[4-(3,3-dimethyl-2-oxoindol-1-yl)-2-pyridinyl]urea (PubChem CID 66971371) has the molecular formula C23H22N4O2 and a molecular weight of 386.46 g/mol. Its IUPAC name is 1-benzyl-3-[4-(3,3-dimethyl-2-oxoindol-1-yl)-2-pyridinyl]urea.

Molecular Properties

Compound Name1-benzyl-3-[4-(3,3-dimethyl-2-oxoindol-1-yl)-2-pyridinyl]urea
PubChem CID66971371
Molecular FormulaC23H22N4O2
Molecular Weight386.46 g/mol
Exact Mass386.17
IUPAC Name1-benzyl-3-[4-(3,3-dimethyl-2-oxoindol-1-yl)-2-pyridinyl]urea
SMILESCC1(C)C(=O)N(c2ccnc(NC(=O)NCc3ccccc3)c2)c2ccccc21
InChIInChI=1S/C23H22N4O2/c1-23(2)18-10-6-7-11-19(18)27(21(23)28)17-12-13-24-20(14-17)26-22(29)25-15-16-8-4-3-5-9-16/h3-14H,15H2,1-2H3,(H2,24,25,26,29)
InChIKeyBFOZWKQWTJIJNQ-UHFFFAOYSA-N
XLogP4.36
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-3-(4-chloro-2-pyridinyl)urea
CID 108871348
1-benzyl-3-[4-[(3S)-3-cyano-3-hydroxy-2-oxopyrrolidin-1-yl]-2-pyridinyl]urea
CID 121380842
1-[(3-methylphenyl)methyl]-3-(4-methyl-2-pyridinyl)urea
CID 108898245
1-[(4-fluorophenyl)methyl]-3-[4-(2-oxo-4-phenylpyrrolidin-1-yl)-2-pyridinyl]urea
CID 58150117
1-pyridin-2-yl-3-(pyridin-4-ylmethyl)urea
CID 47237582
N-[2-(benzylcarbamoylamino)-4-pyridinyl]-2,6-dichlorobenzamide
CID 59618071
1-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-3-[(4-methylphenyl)methyl]urea
CID 67062397
1-benzyl-3-(5-propan-2-yl-1H-pyrazol-3-yl)urea
CID 103720486
1-benzyl-3-(5-bromopyrazin-2-yl)urea
CID 107653654
N-(4-methyl-2-pyridinyl)-2-phenylacetamide
CID 4232423
1-[(4-bromophenyl)methyl]-3-pyridin-2-ylurea
CID 108894670
1-(4-bromo-2-pyridinyl)-3-[(3-methoxyphenyl)methyl]urea
CID 108898437

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[4-(3,3-dimethyl-2-oxoindol-1-yl)-2-pyridinyl]urea?
The IUPAC name of 1-benzyl-3-[4-(3,3-dimethyl-2-oxoindol-1-yl)-2-pyridinyl]urea (CID 66971371) is 1-benzyl-3-[4-(3,3-dimethyl-2-oxoindol-1-yl)-2-pyridinyl]urea.
What is the SMILES notation for 1-benzyl-3-[4-(3,3-dimethyl-2-oxoindol-1-yl)-2-pyridinyl]urea?
The canonical SMILES for 1-benzyl-3-[4-(3,3-dimethyl-2-oxoindol-1-yl)-2-pyridinyl]urea is CC1(C)C(=O)N(c2ccnc(NC(=O)NCc3ccccc3)c2)c2ccccc21.
What is the InChIKey of 1-benzyl-3-[4-(3,3-dimethyl-2-oxoindol-1-yl)-2-pyridinyl]urea?
The InChIKey is BFOZWKQWTJIJNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2/c1-23(2)18-10-6-7-11-19(18)27(21(23)28)17-12-13-24-20(14-17)26-22(29)25-15-16-8-4-3-5-9-16/h3-14H,15H2,1-2H3,(H2,24,25,26,29).
What are the key properties of 1-benzyl-3-[4-(3,3-dimethyl-2-oxoindol-1-yl)-2-pyridinyl]urea?
1-benzyl-3-[4-(3,3-dimethyl-2-oxoindol-1-yl)-2-pyridinyl]urea has a molecular weight of 386.46 g/mol, XLogP of 4.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[4-(3,3-dimethyl-2-oxoindol-1-yl)-2-pyridinyl]urea is sourced from PubChem (CID 66971371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).