(2S)-N-[(6-bromo-3-pyridinyl)carbamoyl]pyrrolidine-2-carboxamide

C11H13BrN4O2 — CID 89310972

IUPAC(2S)-N-[(6-bromo-3-pyridinyl)carbamoyl]pyrrolidine-2-carboxamide
SMILESO=C(NC(=O)[C@@H]1CCCN1)Nc1ccc(Br)nc1
InChIInChI=1S/C11H13BrN4O2/c12-9-4-3-7(6-14-9)15-11(18)16-10(17)8-2-1-5-13-8/h3-4,6,8,13H,1-2,5H2,(H2,15,16,17,18)/t8-/m0/s1
InChIKeyNJCFNLPZJAOOLN-QMMMGPOBSA-N
MW313.16 g/mol
LogP1.24
Rot. Bonds2

About (2S)-N-[(6-bromo-3-pyridinyl)carbamoyl]pyrrolidine-2-carboxamide

(2S)-N-[(6-bromo-3-pyridinyl)carbamoyl]pyrrolidine-2-carboxamide (PubChem CID 89310972) has the molecular formula C11H13BrN4O2 and a molecular weight of 313.16 g/mol. Its IUPAC name is (2S)-N-[(6-bromo-3-pyridinyl)carbamoyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(6-bromo-3-pyridinyl)carbamoyl]pyrrolidine-2-carboxamide
PubChem CID89310972
Molecular FormulaC11H13BrN4O2
Molecular Weight313.16 g/mol
Exact Mass312.02
IUPAC Name(2S)-N-[(6-bromo-3-pyridinyl)carbamoyl]pyrrolidine-2-carboxamide
SMILESO=C(NC(=O)[C@@H]1CCCN1)Nc1ccc(Br)nc1
InChIInChI=1S/C11H13BrN4O2/c12-9-4-3-7(6-14-9)15-11(18)16-10(17)8-2-1-5-13-8/h3-4,6,8,13H,1-2,5H2,(H2,15,16,17,18)/t8-/m0/s1
InChIKeyNJCFNLPZJAOOLN-QMMMGPOBSA-N
XLogP1.24
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.16
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(6-bromo-3-pyridinyl)morpholine-3-carboxamide
CID 103813891
N-[6-(cyclopropanecarbonylamino)-3-pyridinyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119879391
N-(6-bromo-3-pyridinyl)piperidine-4-carboxamide
CID 103813896
N-(6-bromo-3-pyridinyl)bicyclo[4.1.0]heptane-7-carboxamide
CID 103789368
(2S)-N-(6-anilino-3-pyridinyl)pyrrolidine-2-carboxamide;hydrochloride
CID 122081463
(2R)-N-(4-chlorophenyl)pyrrolidine-2-carboxamide
CID 7183288
N-(3-amino-6-bromo-2-pyridinyl)pyrrolidine-2-carboxamide
CID 140776709
2-[5-[[(2S)-piperidine-2-carbonyl]amino]-2-pyridinyl]acetic acid
CID 107341016
(2R)-N-[6-(dimethylamino)-3-pyridinyl]piperidine-2-carboxamide
CID 104912943
N-[6-(4-fluorophenoxy)-3-pyridinyl]pyrrolidine-2-carboxamide
CID 119849104
N-(6-phenoxy-3-pyridinyl)pyrrolidine-2-carboxamide
CID 119849166
N-(6-pyrazol-1-yl-3-pyridinyl)pyrrolidine-2-carboxamide
CID 43426246

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(6-bromo-3-pyridinyl)carbamoyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[(6-bromo-3-pyridinyl)carbamoyl]pyrrolidine-2-carboxamide (CID 89310972) is (2S)-N-[(6-bromo-3-pyridinyl)carbamoyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[(6-bromo-3-pyridinyl)carbamoyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[(6-bromo-3-pyridinyl)carbamoyl]pyrrolidine-2-carboxamide is O=C(NC(=O)[C@@H]1CCCN1)Nc1ccc(Br)nc1.
What is the InChIKey of (2S)-N-[(6-bromo-3-pyridinyl)carbamoyl]pyrrolidine-2-carboxamide?
The InChIKey is NJCFNLPZJAOOLN-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H13BrN4O2/c12-9-4-3-7(6-14-9)15-11(18)16-10(17)8-2-1-5-13-8/h3-4,6,8,13H,1-2,5H2,(H2,15,16,17,18)/t8-/m0/s1.
What are the key properties of (2S)-N-[(6-bromo-3-pyridinyl)carbamoyl]pyrrolidine-2-carboxamide?
(2S)-N-[(6-bromo-3-pyridinyl)carbamoyl]pyrrolidine-2-carboxamide has a molecular weight of 313.16 g/mol, XLogP of 1.24, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(6-bromo-3-pyridinyl)carbamoyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 89310972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).