1-[4-(2-pyridin-2-ylethenyl)phenyl]-3-(2-pyrrolidin-1-ylethyl)urea

C20H24N4O — CID 171135029

IUPAC1-[4-(2-pyridin-2-ylethenyl)phenyl]-3-(2-pyrrolidin-1-ylethyl)urea
SMILESO=C(NCCN1CCCC1)Nc1ccc(C=Cc2ccccn2)cc1
InChIInChI=1S/C20H24N4O/c25-20(22-13-16-24-14-3-4-15-24)23-19-10-7-17(8-11-19)6-9-18-5-1-2-12-21-18/h1-2,5-12H,3-4,13-16H2,(H2,22,23,25)
InChIKeyWINSECXAVUHWBS-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.47
Rot. Bonds6

About 1-[4-(2-pyridin-2-ylethenyl)phenyl]-3-(2-pyrrolidin-1-ylethyl)urea

1-[4-(2-pyridin-2-ylethenyl)phenyl]-3-(2-pyrrolidin-1-ylethyl)urea (PubChem CID 171135029) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is 1-[4-(2-pyridin-2-ylethenyl)phenyl]-3-(2-pyrrolidin-1-ylethyl)urea.

Molecular Properties

Compound Name1-[4-(2-pyridin-2-ylethenyl)phenyl]-3-(2-pyrrolidin-1-ylethyl)urea
PubChem CID171135029
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name1-[4-(2-pyridin-2-ylethenyl)phenyl]-3-(2-pyrrolidin-1-ylethyl)urea
SMILESO=C(NCCN1CCCC1)Nc1ccc(C=Cc2ccccn2)cc1
InChIInChI=1S/C20H24N4O/c25-20(22-13-16-24-14-3-4-15-24)23-19-10-7-17(8-11-19)6-9-18-5-1-2-12-21-18/h1-2,5-12H,3-4,13-16H2,(H2,22,23,25)
InChIKeyWINSECXAVUHWBS-UHFFFAOYSA-N
XLogP3.47
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-aminophenyl)-3-(2-pyrrolidin-1-ylethyl)urea
CID 55097980
1-[3-(oxolan-3-yl)propyl]-3-[4-[(E)-2-pyridin-2-ylethenyl]phenyl]urea
CID 118762287
1-(4-acetylphenyl)-3-(2-piperidin-1-ylethyl)urea
CID 60797109
1-(2-piperidin-1-ylethyl)-3-pyridin-2-ylthiourea
CID 3002933
1-(4-butan-2-ylphenyl)-3-(2-piperidin-1-ylethyl)urea
CID 6469065
1-(4-ethoxyphenyl)-3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]urea
CID 47049542
1-(2,3-dihydro-1H-inden-5-yl)-3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]urea
CID 51118566
1-(4-aminophenyl)-3-(3-pyrrolidin-1-ylpropyl)urea
CID 62991029
2-[2-(2-pyrrolidin-1-ylethylcarbamoylamino)phenyl]acetic acid
CID 62636200
1-(6-chlorohexyl)-3-[4-(2-phenylethenyl)phenyl]urea
CID 5240562
1-(4-bromophenyl)-3-(4-piperidin-1-ylbutyl)urea
CID 46831360
1-(4-acetylphenyl)-3-(4-pyrrolidin-1-ylbutyl)urea
CID 87006985

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-pyridin-2-ylethenyl)phenyl]-3-(2-pyrrolidin-1-ylethyl)urea?
The IUPAC name of 1-[4-(2-pyridin-2-ylethenyl)phenyl]-3-(2-pyrrolidin-1-ylethyl)urea (CID 171135029) is 1-[4-(2-pyridin-2-ylethenyl)phenyl]-3-(2-pyrrolidin-1-ylethyl)urea.
What is the SMILES notation for 1-[4-(2-pyridin-2-ylethenyl)phenyl]-3-(2-pyrrolidin-1-ylethyl)urea?
The canonical SMILES for 1-[4-(2-pyridin-2-ylethenyl)phenyl]-3-(2-pyrrolidin-1-ylethyl)urea is O=C(NCCN1CCCC1)Nc1ccc(C=Cc2ccccn2)cc1.
What is the InChIKey of 1-[4-(2-pyridin-2-ylethenyl)phenyl]-3-(2-pyrrolidin-1-ylethyl)urea?
The InChIKey is WINSECXAVUHWBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c25-20(22-13-16-24-14-3-4-15-24)23-19-10-7-17(8-11-19)6-9-18-5-1-2-12-21-18/h1-2,5-12H,3-4,13-16H2,(H2,22,23,25).
What are the key properties of 1-[4-(2-pyridin-2-ylethenyl)phenyl]-3-(2-pyrrolidin-1-ylethyl)urea?
1-[4-(2-pyridin-2-ylethenyl)phenyl]-3-(2-pyrrolidin-1-ylethyl)urea has a molecular weight of 336.44 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-pyridin-2-ylethenyl)phenyl]-3-(2-pyrrolidin-1-ylethyl)urea is sourced from PubChem (CID 171135029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).