1-(2-pyridin-2-yl-1,3-dihydroisoindol-4-yl)-3-(1,2,3,4-tetrahydronaphthalen-2-yl)urea

C24H24N4O — CID 166185998

IUPAC1-(2-pyridin-2-yl-1,3-dihydroisoindol-4-yl)-3-(1,2,3,4-tetrahydronaphthalen-2-yl)urea
SMILESO=C(Nc1cccc2c1CN(c1ccccn1)C2)NC1CCc2ccccc2C1
InChIInChI=1S/C24H24N4O/c29-24(26-20-12-11-17-6-1-2-7-18(17)14-20)27-22-9-5-8-19-15-28(16-21(19)22)23-10-3-4-13-25-23/h1-10,13,20H,11-12,14-16H2,(H2,26,27,29)
InChIKeyUPIGXPWBWHGXMG-UHFFFAOYSA-N
MW384.48 g/mol
LogP4.28
Rot. Bonds3

About 1-(2-pyridin-2-yl-1,3-dihydroisoindol-4-yl)-3-(1,2,3,4-tetrahydronaphthalen-2-yl)urea

1-(2-pyridin-2-yl-1,3-dihydroisoindol-4-yl)-3-(1,2,3,4-tetrahydronaphthalen-2-yl)urea (PubChem CID 166185998) has the molecular formula C24H24N4O and a molecular weight of 384.48 g/mol. Its IUPAC name is 1-(2-pyridin-2-yl-1,3-dihydroisoindol-4-yl)-3-(1,2,3,4-tetrahydronaphthalen-2-yl)urea.

Molecular Properties

Compound Name1-(2-pyridin-2-yl-1,3-dihydroisoindol-4-yl)-3-(1,2,3,4-tetrahydronaphthalen-2-yl)urea
PubChem CID166185998
Molecular FormulaC24H24N4O
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name1-(2-pyridin-2-yl-1,3-dihydroisoindol-4-yl)-3-(1,2,3,4-tetrahydronaphthalen-2-yl)urea
SMILESO=C(Nc1cccc2c1CN(c1ccccn1)C2)NC1CCc2ccccc2C1
InChIInChI=1S/C24H24N4O/c29-24(26-20-12-11-17-6-1-2-7-18(17)14-20)27-22-9-5-8-19-15-28(16-21(19)22)23-10-3-4-13-25-23/h1-10,13,20H,11-12,14-16H2,(H2,26,27,29)
InChIKeyUPIGXPWBWHGXMG-UHFFFAOYSA-N
XLogP4.28
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 47293347
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1-cyclohexyl-3-(1,2,3,4-tetrahydronaphthalen-2-yl)urea
CID 115573941
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CID 97241132
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CID 167790130
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CID 127461155
1-[3-(dimethylamino)-2-methylphenyl]-3-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]urea
CID 97335866
1-(1-pyrimidin-2-ylpiperidin-3-yl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
CID 55809342
1-(2-cyanophenyl)-3-(2,3-dihydro-1H-inden-2-yl)urea
CID 23934831
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Frequently Asked Questions

What is the IUPAC name of 1-(2-pyridin-2-yl-1,3-dihydroisoindol-4-yl)-3-(1,2,3,4-tetrahydronaphthalen-2-yl)urea?
The IUPAC name of 1-(2-pyridin-2-yl-1,3-dihydroisoindol-4-yl)-3-(1,2,3,4-tetrahydronaphthalen-2-yl)urea (CID 166185998) is 1-(2-pyridin-2-yl-1,3-dihydroisoindol-4-yl)-3-(1,2,3,4-tetrahydronaphthalen-2-yl)urea.
What is the SMILES notation for 1-(2-pyridin-2-yl-1,3-dihydroisoindol-4-yl)-3-(1,2,3,4-tetrahydronaphthalen-2-yl)urea?
The canonical SMILES for 1-(2-pyridin-2-yl-1,3-dihydroisoindol-4-yl)-3-(1,2,3,4-tetrahydronaphthalen-2-yl)urea is O=C(Nc1cccc2c1CN(c1ccccn1)C2)NC1CCc2ccccc2C1.
What is the InChIKey of 1-(2-pyridin-2-yl-1,3-dihydroisoindol-4-yl)-3-(1,2,3,4-tetrahydronaphthalen-2-yl)urea?
The InChIKey is UPIGXPWBWHGXMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O/c29-24(26-20-12-11-17-6-1-2-7-18(17)14-20)27-22-9-5-8-19-15-28(16-21(19)22)23-10-3-4-13-25-23/h1-10,13,20H,11-12,14-16H2,(H2,26,27,29).
What are the key properties of 1-(2-pyridin-2-yl-1,3-dihydroisoindol-4-yl)-3-(1,2,3,4-tetrahydronaphthalen-2-yl)urea?
1-(2-pyridin-2-yl-1,3-dihydroisoindol-4-yl)-3-(1,2,3,4-tetrahydronaphthalen-2-yl)urea has a molecular weight of 384.48 g/mol, XLogP of 4.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-pyridin-2-yl-1,3-dihydroisoindol-4-yl)-3-(1,2,3,4-tetrahydronaphthalen-2-yl)urea is sourced from PubChem (CID 166185998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).