1-(2-phenyl-2-pyrrolidin-1-ylethyl)-3-pyridin-3-ylurea

C18H22N4O — CID 18101910

IUPAC1-(2-phenyl-2-pyrrolidin-1-ylethyl)-3-pyridin-3-ylurea
SMILESO=C(NCC(c1ccccc1)N1CCCC1)Nc1cccnc1
InChIInChI=1S/C18H22N4O/c23-18(21-16-9-6-10-19-13-16)20-14-17(22-11-4-5-12-22)15-7-2-1-3-8-15/h1-3,6-10,13,17H,4-5,11-12,14H2,(H2,20,21,23)
InChIKeyFVJFTCWJNODJST-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.04
Rot. Bonds5

About 1-(2-phenyl-2-pyrrolidin-1-ylethyl)-3-pyridin-3-ylurea

1-(2-phenyl-2-pyrrolidin-1-ylethyl)-3-pyridin-3-ylurea (PubChem CID 18101910) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 1-(2-phenyl-2-pyrrolidin-1-ylethyl)-3-pyridin-3-ylurea.

Molecular Properties

Compound Name1-(2-phenyl-2-pyrrolidin-1-ylethyl)-3-pyridin-3-ylurea
PubChem CID18101910
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name1-(2-phenyl-2-pyrrolidin-1-ylethyl)-3-pyridin-3-ylurea
SMILESO=C(NCC(c1ccccc1)N1CCCC1)Nc1cccnc1
InChIInChI=1S/C18H22N4O/c23-18(21-16-9-6-10-19-13-16)20-14-17(22-11-4-5-12-22)15-7-2-1-3-8-15/h1-3,6-10,13,17H,4-5,11-12,14H2,(H2,20,21,23)
InChIKeyFVJFTCWJNODJST-UHFFFAOYSA-N
XLogP3.04
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(azepan-1-yl)-2-phenylethyl]-3-pyridin-3-ylurea
CID 118775624
1-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-pyridin-3-ylurea
CID 18101923
1-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-pyridin-3-ylurea
CID 18101833
4-(phenylcarbamoylamino)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide
CID 55436420
1-(2-hydroxy-2-pyridin-3-ylethyl)-3-phenylurea
CID 23996231
1-(2-phenyl-2-pyrrolidin-1-ylethyl)-3-[3-(2-pyrazol-1-ylethoxy)phenyl]urea
CID 55835952
1-[3-(methylsulfonylmethyl)phenyl]-3-(2-phenyl-2-pyrrolidin-1-ylethyl)urea
CID 60603381
1-[(2S)-2-piperidin-1-yl-2-pyridin-3-ylethyl]-3-(2-propylpyrazol-3-yl)urea
CID 125169528
1-[(1-hydroxycyclobutyl)methyl]-3-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]urea
CID 97215316
1-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-3-phenylurea
CID 112503366
3-fluoro-N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]pyridine-4-carboxamide
CID 99973037
N-[(2R)-2-(azepan-1-yl)-2-phenylethyl]-3-chloropyridine-4-carboxamide
CID 125168048

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenyl-2-pyrrolidin-1-ylethyl)-3-pyridin-3-ylurea?
The IUPAC name of 1-(2-phenyl-2-pyrrolidin-1-ylethyl)-3-pyridin-3-ylurea (CID 18101910) is 1-(2-phenyl-2-pyrrolidin-1-ylethyl)-3-pyridin-3-ylurea.
What is the SMILES notation for 1-(2-phenyl-2-pyrrolidin-1-ylethyl)-3-pyridin-3-ylurea?
The canonical SMILES for 1-(2-phenyl-2-pyrrolidin-1-ylethyl)-3-pyridin-3-ylurea is O=C(NCC(c1ccccc1)N1CCCC1)Nc1cccnc1.
What is the InChIKey of 1-(2-phenyl-2-pyrrolidin-1-ylethyl)-3-pyridin-3-ylurea?
The InChIKey is FVJFTCWJNODJST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c23-18(21-16-9-6-10-19-13-16)20-14-17(22-11-4-5-12-22)15-7-2-1-3-8-15/h1-3,6-10,13,17H,4-5,11-12,14H2,(H2,20,21,23).
What are the key properties of 1-(2-phenyl-2-pyrrolidin-1-ylethyl)-3-pyridin-3-ylurea?
1-(2-phenyl-2-pyrrolidin-1-ylethyl)-3-pyridin-3-ylurea has a molecular weight of 310.40 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenyl-2-pyrrolidin-1-ylethyl)-3-pyridin-3-ylurea is sourced from PubChem (CID 18101910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).