1-(2,2-diphenylethyl)-3-(2-pyrrolidin-1-yl-3-pyridinyl)urea

C24H26N4O — CID 112829342

IUPAC1-(2,2-diphenylethyl)-3-(2-pyrrolidin-1-yl-3-pyridinyl)urea
SMILESO=C(NCC(c1ccccc1)c1ccccc1)Nc1cccnc1N1CCCC1
InChIInChI=1S/C24H26N4O/c29-24(27-22-14-9-15-25-23(22)28-16-7-8-17-28)26-18-21(19-10-3-1-4-11-19)20-12-5-2-6-13-20/h1-6,9-15,21H,7-8,16-18H2,(H2,26,27,29)
InChIKeyGDYFHVYGADHNML-UHFFFAOYSA-N
MW386.50 g/mol
LogP4.64
Rot. Bonds6

About 1-(2,2-diphenylethyl)-3-(2-pyrrolidin-1-yl-3-pyridinyl)urea

1-(2,2-diphenylethyl)-3-(2-pyrrolidin-1-yl-3-pyridinyl)urea (PubChem CID 112829342) has the molecular formula C24H26N4O and a molecular weight of 386.50 g/mol. Its IUPAC name is 1-(2,2-diphenylethyl)-3-(2-pyrrolidin-1-yl-3-pyridinyl)urea.

Molecular Properties

Compound Name1-(2,2-diphenylethyl)-3-(2-pyrrolidin-1-yl-3-pyridinyl)urea
PubChem CID112829342
Molecular FormulaC24H26N4O
Molecular Weight386.50 g/mol
Exact Mass386.21
IUPAC Name1-(2,2-diphenylethyl)-3-(2-pyrrolidin-1-yl-3-pyridinyl)urea
SMILESO=C(NCC(c1ccccc1)c1ccccc1)Nc1cccnc1N1CCCC1
InChIInChI=1S/C24H26N4O/c29-24(27-22-14-9-15-25-23(22)28-16-7-8-17-28)26-18-21(19-10-3-1-4-11-19)20-12-5-2-6-13-20/h1-6,9-15,21H,7-8,16-18H2,(H2,26,27,29)
InChIKeyGDYFHVYGADHNML-UHFFFAOYSA-N
XLogP4.64
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(2-pyrrolidin-1-yl-3-pyridinyl)urea
CID 111573124
1-buta-2,3-dienyl-3-(2-pyrrolidin-1-yl-3-pyridinyl)urea
CID 126841002
1-[(5-methylpyrimidin-2-yl)methyl]-3-(2-pyrrolidin-1-yl-3-pyridinyl)urea
CID 126839726
1-[(2R)-2-hydroxy-3-piperidin-1-ylpropyl]-3-(2-pyrazol-1-yl-3-pyridinyl)urea
CID 94169729
2-methoxy-N-(2-pyrrolidin-1-yl-3-pyridinyl)propanamide
CID 47308006
1-(2-pyrrolidin-1-yl-3-pyridinyl)-3-[[1-(1,2,4-triazol-1-yl)cyclopropyl]methyl]urea
CID 167843937
(2R)-2-amino-3-methyl-N-(2-pyrrolidin-1-yl-3-pyridinyl)butanamide
CID 79011469
2-methylsulfanyl-N-(2-piperidin-1-yl-3-pyridinyl)propanamide
CID 47354331
4-hydroxy-N-(2-pyrrolidin-1-yl-3-pyridinyl)pentanamide
CID 79200601
2-amino-3-methyl-N-(2-pyrrolidin-1-yl-3-pyridinyl)pentanamide
CID 43700405
3-amino-2-methoxy-N-(2-pyrrolidin-1-yl-3-pyridinyl)propanamide
CID 106111464
1-[[(4S)-1,3-dioxan-4-yl]methyl]-3-(2-pyrrolidin-1-yl-3-pyridinyl)urea
CID 97076924

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-diphenylethyl)-3-(2-pyrrolidin-1-yl-3-pyridinyl)urea?
The IUPAC name of 1-(2,2-diphenylethyl)-3-(2-pyrrolidin-1-yl-3-pyridinyl)urea (CID 112829342) is 1-(2,2-diphenylethyl)-3-(2-pyrrolidin-1-yl-3-pyridinyl)urea.
What is the SMILES notation for 1-(2,2-diphenylethyl)-3-(2-pyrrolidin-1-yl-3-pyridinyl)urea?
The canonical SMILES for 1-(2,2-diphenylethyl)-3-(2-pyrrolidin-1-yl-3-pyridinyl)urea is O=C(NCC(c1ccccc1)c1ccccc1)Nc1cccnc1N1CCCC1.
What is the InChIKey of 1-(2,2-diphenylethyl)-3-(2-pyrrolidin-1-yl-3-pyridinyl)urea?
The InChIKey is GDYFHVYGADHNML-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O/c29-24(27-22-14-9-15-25-23(22)28-16-7-8-17-28)26-18-21(19-10-3-1-4-11-19)20-12-5-2-6-13-20/h1-6,9-15,21H,7-8,16-18H2,(H2,26,27,29).
What are the key properties of 1-(2,2-diphenylethyl)-3-(2-pyrrolidin-1-yl-3-pyridinyl)urea?
1-(2,2-diphenylethyl)-3-(2-pyrrolidin-1-yl-3-pyridinyl)urea has a molecular weight of 386.50 g/mol, XLogP of 4.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-diphenylethyl)-3-(2-pyrrolidin-1-yl-3-pyridinyl)urea is sourced from PubChem (CID 112829342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).