(2R)-1-(5-bromo-3-pyridinyl)-N-cyclopropylpyrrolidine-2-carboxamide

C13H16BrN3O — CID 99636699

IUPAC(2R)-1-(5-bromo-3-pyridinyl)-N-cyclopropylpyrrolidine-2-carboxamide
SMILESO=C(NC1CC1)[C@H]1CCCN1c1cncc(Br)c1
InChIInChI=1S/C13H16BrN3O/c14-9-6-11(8-15-7-9)17-5-1-2-12(17)13(18)16-10-3-4-10/h6-8,10,12H,1-5H2,(H,16,18)/t12-/m1/s1
InChIKeyNJOVZLCYIOPRQW-GFCCVEGCSA-N
MW310.19 g/mol
LogP2.09
Rot. Bonds3

About (2R)-1-(5-bromo-3-pyridinyl)-N-cyclopropylpyrrolidine-2-carboxamide

(2R)-1-(5-bromo-3-pyridinyl)-N-cyclopropylpyrrolidine-2-carboxamide (PubChem CID 99636699) has the molecular formula C13H16BrN3O and a molecular weight of 310.19 g/mol. Its IUPAC name is (2R)-1-(5-bromo-3-pyridinyl)-N-cyclopropylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-(5-bromo-3-pyridinyl)-N-cyclopropylpyrrolidine-2-carboxamide
PubChem CID99636699
Molecular FormulaC13H16BrN3O
Molecular Weight310.19 g/mol
Exact Mass309.05
IUPAC Name(2R)-1-(5-bromo-3-pyridinyl)-N-cyclopropylpyrrolidine-2-carboxamide
SMILESO=C(NC1CC1)[C@H]1CCCN1c1cncc(Br)c1
InChIInChI=1S/C13H16BrN3O/c14-9-6-11(8-15-7-9)17-5-1-2-12(17)13(18)16-10-3-4-10/h6-8,10,12H,1-5H2,(H,16,18)/t12-/m1/s1
InChIKeyNJOVZLCYIOPRQW-GFCCVEGCSA-N
XLogP2.09
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.19
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-amino-3-pyridinyl)-N-methylpyrrolidine-2-carboxamide
CID 104533673
[1-(5-bromo-3-pyridinyl)pyrrolidin-2-yl]methanol
CID 89439842
(2R)-1-(6-cyano-3-pyridinyl)-N-cyclopropylpyrrolidine-2-carboxamide
CID 99636693
3-bromo-5-[(2S)-2-(chloromethyl)pyrrolidin-1-yl]pyridine
CID 86679113
(2R)-N-cyclopropyl-1-(4-nitrophenyl)pyrrolidine-2-carboxamide
CID 68685984
3-bromo-5-(2-ethylpyrrolidin-1-yl)pyridine
CID 104531587
[1-(5-bromo-3-pyridinyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 75374152
N-cyclopropyl-1-pyridin-2-ylpyrrolidine-2-carboxamide
CID 91662065
1-(5-bromo-3-pyridinyl)-N-cyclopropylpiperidin-3-amine
CID 114223190
1-(5-acetyl-2-pyridinyl)-N-cyclopropylpyrrolidine-2-carboxamide
CID 91650969
(2S)-N-(4-tert-butylcyclohexyl)-1-(4-chlorophenyl)pyrrolidine-2-carboxamide
CID 46844122
(2S)-1-(5-cyano-2-pyridinyl)-N-cyclopropylpyrrolidine-2-carboxamide
CID 32877843

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(5-bromo-3-pyridinyl)-N-cyclopropylpyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-(5-bromo-3-pyridinyl)-N-cyclopropylpyrrolidine-2-carboxamide (CID 99636699) is (2R)-1-(5-bromo-3-pyridinyl)-N-cyclopropylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-(5-bromo-3-pyridinyl)-N-cyclopropylpyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-(5-bromo-3-pyridinyl)-N-cyclopropylpyrrolidine-2-carboxamide is O=C(NC1CC1)[C@H]1CCCN1c1cncc(Br)c1.
What is the InChIKey of (2R)-1-(5-bromo-3-pyridinyl)-N-cyclopropylpyrrolidine-2-carboxamide?
The InChIKey is NJOVZLCYIOPRQW-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H16BrN3O/c14-9-6-11(8-15-7-9)17-5-1-2-12(17)13(18)16-10-3-4-10/h6-8,10,12H,1-5H2,(H,16,18)/t12-/m1/s1.
What are the key properties of (2R)-1-(5-bromo-3-pyridinyl)-N-cyclopropylpyrrolidine-2-carboxamide?
(2R)-1-(5-bromo-3-pyridinyl)-N-cyclopropylpyrrolidine-2-carboxamide has a molecular weight of 310.19 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(5-bromo-3-pyridinyl)-N-cyclopropylpyrrolidine-2-carboxamide is sourced from PubChem (CID 99636699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).