3-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-1-cyclopropyl-1-(2-hydroxyethyl)urea

C15H21ClN4O2 — CID 75379285

IUPAC3-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-1-cyclopropyl-1-(2-hydroxyethyl)urea
SMILESO=C(NC1CCN(c2ncccc2Cl)C1)N(CCO)C1CC1
InChIInChI=1S/C15H21ClN4O2/c16-13-2-1-6-17-14(13)19-7-5-11(10-19)18-15(22)20(8-9-21)12-3-4-12/h1-2,6,11-12,21H,3-5,7-10H2,(H,18,22)
InChIKeyGBHZGEVJQPTJGU-UHFFFAOYSA-N
MW324.81 g/mol
LogP1.48
Rot. Bonds5

About 3-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-1-cyclopropyl-1-(2-hydroxyethyl)urea

3-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-1-cyclopropyl-1-(2-hydroxyethyl)urea (PubChem CID 75379285) has the molecular formula C15H21ClN4O2 and a molecular weight of 324.81 g/mol. Its IUPAC name is 3-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-1-cyclopropyl-1-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name3-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-1-cyclopropyl-1-(2-hydroxyethyl)urea
PubChem CID75379285
Molecular FormulaC15H21ClN4O2
Molecular Weight324.81 g/mol
Exact Mass324.14
IUPAC Name3-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-1-cyclopropyl-1-(2-hydroxyethyl)urea
SMILESO=C(NC1CCN(c2ncccc2Cl)C1)N(CCO)C1CC1
InChIInChI=1S/C15H21ClN4O2/c16-13-2-1-6-17-14(13)19-7-5-11(10-19)18-15(22)20(8-9-21)12-3-4-12/h1-2,6,11-12,21H,3-5,7-10H2,(H,18,22)
InChIKeyGBHZGEVJQPTJGU-UHFFFAOYSA-N
XLogP1.48
TPSA68.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.81
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-(2-chlorophenyl)piperidin-3-yl]-1-cyclopropyl-1-(2-hydroxyethyl)urea
CID 111507151
1-cyclopropyl-1-(2-hydroxyethyl)-3-(1-phenylpyrrolidin-3-yl)urea
CID 111106606
N-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]benzamide
CID 166217661
N-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-3-(diethylamino)pyrrolidine-1-carboxamide
CID 166217431
(2S,5R)-5-(aminomethyl)-N-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]oxolane-2-carboxamide
CID 120801200
N-[(3R)-1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]thiomorpholine-4-carboxamide
CID 124594638
(2S)-2-amino-N-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-4-methylpentanamide
CID 119895623
2-chloro-6-fluoro-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]benzamide
CID 71921906
1-[(3R)-1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea
CID 97074230
[2-[[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]amino]-4-pyridinyl]methanol
CID 154741640
N-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-4-(triazol-1-yl)benzamide
CID 155945136
1-(3-chloro-2-pyridinyl)-N-(oxan-4-yl)pyrrolidine-3-carboxamide
CID 171992660

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-1-cyclopropyl-1-(2-hydroxyethyl)urea?
The IUPAC name of 3-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-1-cyclopropyl-1-(2-hydroxyethyl)urea (CID 75379285) is 3-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-1-cyclopropyl-1-(2-hydroxyethyl)urea.
What is the SMILES notation for 3-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-1-cyclopropyl-1-(2-hydroxyethyl)urea?
The canonical SMILES for 3-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-1-cyclopropyl-1-(2-hydroxyethyl)urea is O=C(NC1CCN(c2ncccc2Cl)C1)N(CCO)C1CC1.
What is the InChIKey of 3-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-1-cyclopropyl-1-(2-hydroxyethyl)urea?
The InChIKey is GBHZGEVJQPTJGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN4O2/c16-13-2-1-6-17-14(13)19-7-5-11(10-19)18-15(22)20(8-9-21)12-3-4-12/h1-2,6,11-12,21H,3-5,7-10H2,(H,18,22).
What are the key properties of 3-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-1-cyclopropyl-1-(2-hydroxyethyl)urea?
3-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-1-cyclopropyl-1-(2-hydroxyethyl)urea has a molecular weight of 324.81 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-1-cyclopropyl-1-(2-hydroxyethyl)urea is sourced from PubChem (CID 75379285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).