N-(3-amino-6-bromo-2-pyridinyl)pyrrolidine-2-carboxamide

C10H13BrN4O — CID 140776709

IUPACN-(3-amino-6-bromo-2-pyridinyl)pyrrolidine-2-carboxamide
SMILESNc1ccc(Br)nc1NC(=O)C1CCCN1
InChIInChI=1S/C10H13BrN4O/c11-8-4-3-6(12)9(14-8)15-10(16)7-2-1-5-13-7/h3-4,7,13H,1-2,5,12H2,(H,14,15,16)
InChIKeyGJGYCLABGOOVSM-UHFFFAOYSA-N
MW285.14 g/mol
LogP1.12
Rot. Bonds2

About N-(3-amino-6-bromo-2-pyridinyl)pyrrolidine-2-carboxamide

N-(3-amino-6-bromo-2-pyridinyl)pyrrolidine-2-carboxamide (PubChem CID 140776709) has the molecular formula C10H13BrN4O and a molecular weight of 285.14 g/mol. Its IUPAC name is N-(3-amino-6-bromo-2-pyridinyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(3-amino-6-bromo-2-pyridinyl)pyrrolidine-2-carboxamide
PubChem CID140776709
Molecular FormulaC10H13BrN4O
Molecular Weight285.14 g/mol
Exact Mass284.03
IUPAC NameN-(3-amino-6-bromo-2-pyridinyl)pyrrolidine-2-carboxamide
SMILESNc1ccc(Br)nc1NC(=O)C1CCCN1
InChIInChI=1S/C10H13BrN4O/c11-8-4-3-6(12)9(14-8)15-10(16)7-2-1-5-13-7/h3-4,7,13H,1-2,5,12H2,(H,14,15,16)
InChIKeyGJGYCLABGOOVSM-UHFFFAOYSA-N
XLogP1.12
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.14
LogP ≤ 51.12
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-(4-aminophenyl)pyrrolidine-2-carboxamide
CID 22034800
N-(3-aminophenyl)pyrrolidine-2-carboxamide
CID 110481304
(2R)-N-[4-(carbamoylamino)phenyl]pyrrolidine-2-carboxamide
CID 103794450
N-pyridin-4-ylpyrrolidine-2-carboxamide
CID 18072890
N-(2-amino-4-fluorophenyl)pyrrolidine-2-carboxamide
CID 110481295
(2S)-N-[(6-bromo-3-pyridinyl)carbamoyl]pyrrolidine-2-carboxamide
CID 89310972
(2S)-N-(3-bromophenyl)pyrrolidine-2-carboxamide
CID 22691460
(2S)-N-(6-acetamido-2-pyridinyl)pyrrolidine-2-carboxamide
CID 102178535
(2S)-N-(4-acetamidophenyl)pyrrolidine-2-carboxamide
CID 22691413
N-(1H-1,2,4-triazol-5-yl)pyrrolidine-2-carboxamide
CID 45116189
(2R)-N-(4-bromo-3,5-dimethylphenyl)pyrrolidine-2-carboxamide
CID 107574285
(2S)-N-(4-bromophenyl)piperidine-2-carboxamide;hydrochloride
CID 119670350

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-6-bromo-2-pyridinyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-(3-amino-6-bromo-2-pyridinyl)pyrrolidine-2-carboxamide (CID 140776709) is N-(3-amino-6-bromo-2-pyridinyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(3-amino-6-bromo-2-pyridinyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-(3-amino-6-bromo-2-pyridinyl)pyrrolidine-2-carboxamide is Nc1ccc(Br)nc1NC(=O)C1CCCN1.
What is the InChIKey of N-(3-amino-6-bromo-2-pyridinyl)pyrrolidine-2-carboxamide?
The InChIKey is GJGYCLABGOOVSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN4O/c11-8-4-3-6(12)9(14-8)15-10(16)7-2-1-5-13-7/h3-4,7,13H,1-2,5,12H2,(H,14,15,16).
What are the key properties of N-(3-amino-6-bromo-2-pyridinyl)pyrrolidine-2-carboxamide?
N-(3-amino-6-bromo-2-pyridinyl)pyrrolidine-2-carboxamide has a molecular weight of 285.14 g/mol, XLogP of 1.12, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-6-bromo-2-pyridinyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 140776709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).