1-(2-pyridin-3-ylethyl)-3-[4-(pyrrolidine-1-carbonyl)phenyl]urea

C19H22N4O2 — CID 86988232

IUPAC1-(2-pyridin-3-ylethyl)-3-[4-(pyrrolidine-1-carbonyl)phenyl]urea
SMILESO=C(NCCc1cccnc1)Nc1ccc(C(=O)N2CCCC2)cc1
InChIInChI=1S/C19H22N4O2/c24-18(23-12-1-2-13-23)16-5-7-17(8-6-16)22-19(25)21-11-9-15-4-3-10-20-14-15/h3-8,10,14H,1-2,9,11-13H2,(H2,21,22,25)
InChIKeyAGCLSWDQSLOHPW-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.68
Rot. Bonds5

About 1-(2-pyridin-3-ylethyl)-3-[4-(pyrrolidine-1-carbonyl)phenyl]urea

1-(2-pyridin-3-ylethyl)-3-[4-(pyrrolidine-1-carbonyl)phenyl]urea (PubChem CID 86988232) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 1-(2-pyridin-3-ylethyl)-3-[4-(pyrrolidine-1-carbonyl)phenyl]urea.

Molecular Properties

Compound Name1-(2-pyridin-3-ylethyl)-3-[4-(pyrrolidine-1-carbonyl)phenyl]urea
PubChem CID86988232
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name1-(2-pyridin-3-ylethyl)-3-[4-(pyrrolidine-1-carbonyl)phenyl]urea
SMILESO=C(NCCc1cccnc1)Nc1ccc(C(=O)N2CCCC2)cc1
InChIInChI=1S/C19H22N4O2/c24-18(23-12-1-2-13-23)16-5-7-17(8-6-16)22-19(25)21-11-9-15-4-3-10-20-14-15/h3-8,10,14H,1-2,9,11-13H2,(H2,21,22,25)
InChIKeyAGCLSWDQSLOHPW-UHFFFAOYSA-N
XLogP2.68
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(pyridin-3-ylmethyl)-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044237
N-prop-2-enyl-4-(2-pyridin-3-ylethylcarbamoylamino)benzamide
CID 87010679
3,5-dimethyl-4-(pyridin-3-ylmethoxy)-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 55699320
1-[3-(2-oxopyrrolidin-1-yl)phenyl]-3-(2-pyridin-3-ylethyl)urea
CID 86988033
1-[3-[4-(dimethylamino)phenyl]propyl]-3-[4-(pyrrolidine-1-carbonyl)phenyl]urea
CID 86988223
1-(3,5-dimethylbenzoyl)-N-(2-pyridin-3-ylethyl)piperidine-3-carboxamide
CID 55823393
N-(4-chlorophenyl)-2-(2-pyridin-3-ylethylcarbamoylamino)acetamide
CID 51091959
N-cyclopentyl-4-(pyridin-3-ylmethylcarbamoylamino)benzamide
CID 51085606
1-(pyridin-3-ylmethyl)-3-(4-pyrrolidin-1-ylsulfinylphenyl)urea
CID 90012448
N,N-diethyl-3-(2-pyridin-3-ylethylcarbamoylamino)benzamide
CID 86987634
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2-pyridin-3-ylethyl)urea
CID 3818400
1-(4-acetylphenyl)-3-(pyridin-3-ylmethyl)urea
CID 17280574

Frequently Asked Questions

What is the IUPAC name of 1-(2-pyridin-3-ylethyl)-3-[4-(pyrrolidine-1-carbonyl)phenyl]urea?
The IUPAC name of 1-(2-pyridin-3-ylethyl)-3-[4-(pyrrolidine-1-carbonyl)phenyl]urea (CID 86988232) is 1-(2-pyridin-3-ylethyl)-3-[4-(pyrrolidine-1-carbonyl)phenyl]urea.
What is the SMILES notation for 1-(2-pyridin-3-ylethyl)-3-[4-(pyrrolidine-1-carbonyl)phenyl]urea?
The canonical SMILES for 1-(2-pyridin-3-ylethyl)-3-[4-(pyrrolidine-1-carbonyl)phenyl]urea is O=C(NCCc1cccnc1)Nc1ccc(C(=O)N2CCCC2)cc1.
What is the InChIKey of 1-(2-pyridin-3-ylethyl)-3-[4-(pyrrolidine-1-carbonyl)phenyl]urea?
The InChIKey is AGCLSWDQSLOHPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c24-18(23-12-1-2-13-23)16-5-7-17(8-6-16)22-19(25)21-11-9-15-4-3-10-20-14-15/h3-8,10,14H,1-2,9,11-13H2,(H2,21,22,25).
What are the key properties of 1-(2-pyridin-3-ylethyl)-3-[4-(pyrrolidine-1-carbonyl)phenyl]urea?
1-(2-pyridin-3-ylethyl)-3-[4-(pyrrolidine-1-carbonyl)phenyl]urea has a molecular weight of 338.41 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-pyridin-3-ylethyl)-3-[4-(pyrrolidine-1-carbonyl)phenyl]urea is sourced from PubChem (CID 86988232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).