1-(2-bromophenyl)-3-[(3R)-1-(5-methyl-2-pyridinyl)pyrrolidin-3-yl]urea

C17H19BrN4O — CID 24768251

IUPAC1-(2-bromophenyl)-3-[(3R)-1-(5-methyl-2-pyridinyl)pyrrolidin-3-yl]urea
SMILESCc1ccc(N2CC[C@@H](NC(=O)Nc3ccccc3Br)C2)nc1
InChIInChI=1S/C17H19BrN4O/c1-12-6-7-16(19-10-12)22-9-8-13(11-22)20-17(23)21-15-5-3-2-4-14(15)18/h2-7,10,13H,8-9,11H2,1H3,(H2,20,21,23)/t13-/m1/s1
InChIKeyMSVKDRHEWVZYBQ-CYBMUJFWSA-N
MW375.27 g/mol
LogP3.55
Rot. Bonds3

About 1-(2-bromophenyl)-3-[(3R)-1-(5-methyl-2-pyridinyl)pyrrolidin-3-yl]urea

1-(2-bromophenyl)-3-[(3R)-1-(5-methyl-2-pyridinyl)pyrrolidin-3-yl]urea (PubChem CID 24768251) has the molecular formula C17H19BrN4O and a molecular weight of 375.27 g/mol. Its IUPAC name is 1-(2-bromophenyl)-3-[(3R)-1-(5-methyl-2-pyridinyl)pyrrolidin-3-yl]urea.

Molecular Properties

Compound Name1-(2-bromophenyl)-3-[(3R)-1-(5-methyl-2-pyridinyl)pyrrolidin-3-yl]urea
PubChem CID24768251
Molecular FormulaC17H19BrN4O
Molecular Weight375.27 g/mol
Exact Mass374.07
IUPAC Name1-(2-bromophenyl)-3-[(3R)-1-(5-methyl-2-pyridinyl)pyrrolidin-3-yl]urea
SMILESCc1ccc(N2CC[C@@H](NC(=O)Nc3ccccc3Br)C2)nc1
InChIInChI=1S/C17H19BrN4O/c1-12-6-7-16(19-10-12)22-9-8-13(11-22)20-17(23)21-15-5-3-2-4-14(15)18/h2-7,10,13H,8-9,11H2,1H3,(H2,20,21,23)/t13-/m1/s1
InChIKeyMSVKDRHEWVZYBQ-CYBMUJFWSA-N
XLogP3.55
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.27
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Sb-705498
CID 9910486
1-(4-Bromophenyl)-3-(pyridin-3-ylmethyl)urea
CID 4454833
N-(2-bromophenyl)-2-[4-(pyridin-2-yl)piperazin-1-yl]acetamide
CID 4207409
1-(5-Bromopyridin-2-yl)-3-{2-[3-(dimethylamino)-2,6-difluorophenyl]ethyl}urea
CID 469200
1-(2-bromophenyl)-3-[(3R)-1-[3-(trifluoromethyl)pyridin-2-yl]pyrrolidin-3-yl]urea
CID 24768245
1-(2-bromophenyl)-3-[(3R)-1-[4-(trifluoromethyl)pyridin-2-yl]pyrrolidin-3-yl]urea
CID 24768246
1-(2-bromophenyl)-3-[(3R)-1-[6-(trifluoromethyl)pyridin-2-yl]pyrrolidin-3-yl]urea
CID 24768247
1-(2-bromophenyl)-3-[(3R)-1-(5-bromopyridin-2-yl)pyrrolidin-3-yl]urea
CID 24768248
1-(2-bromophenyl)-3-[(3R)-1-(5-chloropyridin-2-yl)pyrrolidin-3-yl]urea
CID 24768249
1-(2-bromophenyl)-3-[(3R)-1-(5-cyanopyridin-2-yl)pyrrolidin-3-yl]urea
CID 24768250
1-(2-Bromophenyl)-3-[(3S)-1-[5-(trifluoromethyl)pyridin-2-YL]pyrrolidin-3-YL]urea
CID 10137465
4-(3-bromopyridin-2-yl)-N-[4-(propan-2-yl)phenyl]piperazine-1-carboxamide
CID 21037604

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-3-[(3R)-1-(5-methyl-2-pyridinyl)pyrrolidin-3-yl]urea?
The IUPAC name of 1-(2-bromophenyl)-3-[(3R)-1-(5-methyl-2-pyridinyl)pyrrolidin-3-yl]urea (CID 24768251) is 1-(2-bromophenyl)-3-[(3R)-1-(5-methyl-2-pyridinyl)pyrrolidin-3-yl]urea.
What is the SMILES notation for 1-(2-bromophenyl)-3-[(3R)-1-(5-methyl-2-pyridinyl)pyrrolidin-3-yl]urea?
The canonical SMILES for 1-(2-bromophenyl)-3-[(3R)-1-(5-methyl-2-pyridinyl)pyrrolidin-3-yl]urea is Cc1ccc(N2CC[C@@H](NC(=O)Nc3ccccc3Br)C2)nc1.
What is the InChIKey of 1-(2-bromophenyl)-3-[(3R)-1-(5-methyl-2-pyridinyl)pyrrolidin-3-yl]urea?
The InChIKey is MSVKDRHEWVZYBQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H19BrN4O/c1-12-6-7-16(19-10-12)22-9-8-13(11-22)20-17(23)21-15-5-3-2-4-14(15)18/h2-7,10,13H,8-9,11H2,1H3,(H2,20,21,23)/t13-/m1/s1.
What are the key properties of 1-(2-bromophenyl)-3-[(3R)-1-(5-methyl-2-pyridinyl)pyrrolidin-3-yl]urea?
1-(2-bromophenyl)-3-[(3R)-1-(5-methyl-2-pyridinyl)pyrrolidin-3-yl]urea has a molecular weight of 375.27 g/mol, XLogP of 3.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-3-[(3R)-1-(5-methyl-2-pyridinyl)pyrrolidin-3-yl]urea is sourced from PubChem (CID 24768251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).