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

C20H23N3O — CID 126789644

IUPAC1-cyclopropyl-3-(pyridin-2-ylmethyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
SMILESO=C(NCc1ccccn1)N(C1CC1)C1CCCc2ccccc21
InChIInChI=1S/C20H23N3O/c24-20(22-14-16-8-3-4-13-21-16)23(17-11-12-17)19-10-5-7-15-6-1-2-9-18(15)19/h1-4,6,8-9,13,17,19H,5,7,10-12,14H2,(H,22,24)
InChIKeyUBEUOFQOBIJFMU-UHFFFAOYSA-N
MW321.42 g/mol
LogP3.83
Rot. Bonds4

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

1-cyclopropyl-3-(pyridin-2-ylmethyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)urea (PubChem CID 126789644) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is 1-cyclopropyl-3-(pyridin-2-ylmethyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)urea.

Molecular Properties

Compound Name1-cyclopropyl-3-(pyridin-2-ylmethyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
PubChem CID126789644
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Name1-cyclopropyl-3-(pyridin-2-ylmethyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
SMILESO=C(NCc1ccccn1)N(C1CC1)C1CCCc2ccccc21
InChIInChI=1S/C20H23N3O/c24-20(22-14-16-8-3-4-13-21-16)23(17-11-12-17)19-10-5-7-15-6-1-2-9-18(15)19/h1-4,6,8-9,13,17,19H,5,7,10-12,14H2,(H,22,24)
InChIKeyUBEUOFQOBIJFMU-UHFFFAOYSA-N
XLogP3.83
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-hydroxyethyl)-3-(pyridin-2-ylmethyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 111793383
N-(pyridin-2-ylmethyl)-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]acetamide
CID 95327311
1-(2-hydroxyethyl)-3-[(3-methyl-2-pyridinyl)methyl]-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]urea
CID 97073045
N-cyclopropyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thiophene-2-carboxamide
CID 75807762
3-(1-tert-butyl-1,2,4-triazol-3-yl)-1-cyclopropyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 127826932
1-(2-hydroxyethyl)-3-[(6-methyl-2-pyridinyl)methyl]-1-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 111794044
N-cyclopropyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-thiomorpholin-3-ylacetamide
CID 119936952
4-amino-N-cyclopropyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide;hydrochloride
CID 119728161
N-cyclopropyl-4-pyrazol-1-yl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 55592536
1-cyclopropyl-3-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]urea
CID 96562882
4-chloro-N-[3-[cyclopropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-3-oxopropyl]benzamide
CID 55592636
N-[4-[2-[cyclopropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 55592535

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(pyridin-2-ylmethyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)urea?
The IUPAC name of 1-cyclopropyl-3-(pyridin-2-ylmethyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)urea (CID 126789644) is 1-cyclopropyl-3-(pyridin-2-ylmethyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)urea.
What is the SMILES notation for 1-cyclopropyl-3-(pyridin-2-ylmethyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)urea?
The canonical SMILES for 1-cyclopropyl-3-(pyridin-2-ylmethyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)urea is O=C(NCc1ccccn1)N(C1CC1)C1CCCc2ccccc21.
What is the InChIKey of 1-cyclopropyl-3-(pyridin-2-ylmethyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)urea?
The InChIKey is UBEUOFQOBIJFMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c24-20(22-14-16-8-3-4-13-21-16)23(17-11-12-17)19-10-5-7-15-6-1-2-9-18(15)19/h1-4,6,8-9,13,17,19H,5,7,10-12,14H2,(H,22,24).
What are the key properties of 1-cyclopropyl-3-(pyridin-2-ylmethyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)urea?
1-cyclopropyl-3-(pyridin-2-ylmethyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)urea has a molecular weight of 321.42 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(pyridin-2-ylmethyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)urea is sourced from PubChem (CID 126789644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).