1-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-pyridin-3-ylurea

C18H21ClN4O — CID 18101923

IUPAC1-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-pyridin-3-ylurea
SMILESO=C(NCC(c1ccccc1Cl)N1CCCC1)Nc1cccnc1
InChIInChI=1S/C18H21ClN4O/c19-16-8-2-1-7-15(16)17(23-10-3-4-11-23)13-21-18(24)22-14-6-5-9-20-12-14/h1-2,5-9,12,17H,3-4,10-11,13H2,(H2,21,22,24)
InChIKeyILWDPAONXFGEFI-UHFFFAOYSA-N
MW344.85 g/mol
LogP3.69
Rot. Bonds5

About 1-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-pyridin-3-ylurea

1-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-pyridin-3-ylurea (PubChem CID 18101923) has the molecular formula C18H21ClN4O and a molecular weight of 344.85 g/mol. Its IUPAC name is 1-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-pyridin-3-ylurea.

Molecular Properties

Compound Name1-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-pyridin-3-ylurea
PubChem CID18101923
Molecular FormulaC18H21ClN4O
Molecular Weight344.85 g/mol
Exact Mass344.14
IUPAC Name1-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-pyridin-3-ylurea
SMILESO=C(NCC(c1ccccc1Cl)N1CCCC1)Nc1cccnc1
InChIInChI=1S/C18H21ClN4O/c19-16-8-2-1-7-15(16)17(23-10-3-4-11-23)13-21-18(24)22-14-6-5-9-20-12-14/h1-2,5-9,12,17H,3-4,10-11,13H2,(H2,21,22,24)
InChIKeyILWDPAONXFGEFI-UHFFFAOYSA-N
XLogP3.69
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.85
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-phenyl-2-pyrrolidin-1-ylethyl)-3-pyridin-3-ylurea
CID 18101910
1-[2-(azepan-1-yl)-2-phenylethyl]-3-pyridin-3-ylurea
CID 118775624
1-(3-chlorophenyl)-3-[(2R)-2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl]urea
CID 8701528
1-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-pyridin-3-ylurea
CID 18101833
N-[2-(2-chlorophenyl)-2-piperidin-1-ylethyl]-2-phenylacetamide;hydrochloride
CID 52984684
N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide
CID 46584040
(3S)-N-[(2S)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 51934569
(3S)-3-N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 51924944
1-(2-methoxyphenyl)-3-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]urea
CID 17497858
N-[(2R)-2-(2-chlorophenyl)-2-piperidin-1-ylethyl]-4-fluorobenzamide
CID 35043367
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 55635533
N-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]pyridine-4-carboxamide
CID 37050347

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-pyridin-3-ylurea?
The IUPAC name of 1-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-pyridin-3-ylurea (CID 18101923) is 1-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-pyridin-3-ylurea.
What is the SMILES notation for 1-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-pyridin-3-ylurea?
The canonical SMILES for 1-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-pyridin-3-ylurea is O=C(NCC(c1ccccc1Cl)N1CCCC1)Nc1cccnc1.
What is the InChIKey of 1-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-pyridin-3-ylurea?
The InChIKey is ILWDPAONXFGEFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O/c19-16-8-2-1-7-15(16)17(23-10-3-4-11-23)13-21-18(24)22-14-6-5-9-20-12-14/h1-2,5-9,12,17H,3-4,10-11,13H2,(H2,21,22,24).
What are the key properties of 1-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-pyridin-3-ylurea?
1-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-pyridin-3-ylurea has a molecular weight of 344.85 g/mol, XLogP of 3.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-pyridin-3-ylurea is sourced from PubChem (CID 18101923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).