N-(6-bromo-2-methyl-3-pyridinyl)-4-methoxypyrrolidine-2-carboxamide

C12H16BrN3O2 — CID 114050908

IUPACN-(6-bromo-2-methyl-3-pyridinyl)-4-methoxypyrrolidine-2-carboxamide
SMILESCOC1CNC(C(=O)Nc2ccc(Br)nc2C)C1
InChIInChI=1S/C12H16BrN3O2/c1-7-9(3-4-11(13)15-7)16-12(17)10-5-8(18-2)6-14-10/h3-4,8,10,14H,5-6H2,1-2H3,(H,16,17)
InChIKeyJKFDIIVTBVQTEO-UHFFFAOYSA-N
MW314.18 g/mol
LogP1.47
Rot. Bonds3

About N-(6-bromo-2-methyl-3-pyridinyl)-4-methoxypyrrolidine-2-carboxamide

N-(6-bromo-2-methyl-3-pyridinyl)-4-methoxypyrrolidine-2-carboxamide (PubChem CID 114050908) has the molecular formula C12H16BrN3O2 and a molecular weight of 314.18 g/mol. Its IUPAC name is N-(6-bromo-2-methyl-3-pyridinyl)-4-methoxypyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(6-bromo-2-methyl-3-pyridinyl)-4-methoxypyrrolidine-2-carboxamide
PubChem CID114050908
Molecular FormulaC12H16BrN3O2
Molecular Weight314.18 g/mol
Exact Mass313.04
IUPAC NameN-(6-bromo-2-methyl-3-pyridinyl)-4-methoxypyrrolidine-2-carboxamide
SMILESCOC1CNC(C(=O)Nc2ccc(Br)nc2C)C1
InChIInChI=1S/C12H16BrN3O2/c1-7-9(3-4-11(13)15-7)16-12(17)10-5-8(18-2)6-14-10/h3-4,8,10,14H,5-6H2,1-2H3,(H,16,17)
InChIKeyJKFDIIVTBVQTEO-UHFFFAOYSA-N
XLogP1.47
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.18
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2,4-dibromophenyl)-4-methoxypyrrolidine-2-carboxamide
CID 61214476
N-(4-bromo-2,3-dichlorophenyl)-4-methoxypyrrolidine-2-carboxamide
CID 107790383
4-methoxy-N-(2-methylphenyl)pyrrolidine-2-carboxamide
CID 61214161
4-methoxy-N-(4-methyl-3-pyridinyl)pyrrolidine-2-carboxamide
CID 63327667
N-(2-chloro-5-methylphenyl)-4-methoxypyrrolidine-2-carboxamide
CID 103832911
2-[(4-methoxypyrrolidine-2-carbonyl)amino]benzoic acid
CID 61213078
4-methoxy-N-(2-methylsulfanylphenyl)pyrrolidine-2-carboxamide
CID 61214477
4-methoxy-N-phenylpyrrolidine-2-carboxamide
CID 61213145
methyl 3-[(4-methoxypyrrolidine-2-carbonyl)amino]-4-methylbenzoate
CID 61213741
N-[3-bromo-2-(methoxymethyl)phenyl]-4-methoxypyrrolidine-2-carboxamide
CID 61214081
4-methoxy-N-[2-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
CID 61215179
N-(6-bromo-2-methyl-3-pyridinyl)-2-oxo-1,3-thiazolidine-4-carboxamide
CID 103909809

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-2-methyl-3-pyridinyl)-4-methoxypyrrolidine-2-carboxamide?
The IUPAC name of N-(6-bromo-2-methyl-3-pyridinyl)-4-methoxypyrrolidine-2-carboxamide (CID 114050908) is N-(6-bromo-2-methyl-3-pyridinyl)-4-methoxypyrrolidine-2-carboxamide.
What is the SMILES notation for N-(6-bromo-2-methyl-3-pyridinyl)-4-methoxypyrrolidine-2-carboxamide?
The canonical SMILES for N-(6-bromo-2-methyl-3-pyridinyl)-4-methoxypyrrolidine-2-carboxamide is COC1CNC(C(=O)Nc2ccc(Br)nc2C)C1.
What is the InChIKey of N-(6-bromo-2-methyl-3-pyridinyl)-4-methoxypyrrolidine-2-carboxamide?
The InChIKey is JKFDIIVTBVQTEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN3O2/c1-7-9(3-4-11(13)15-7)16-12(17)10-5-8(18-2)6-14-10/h3-4,8,10,14H,5-6H2,1-2H3,(H,16,17).
What are the key properties of N-(6-bromo-2-methyl-3-pyridinyl)-4-methoxypyrrolidine-2-carboxamide?
N-(6-bromo-2-methyl-3-pyridinyl)-4-methoxypyrrolidine-2-carboxamide has a molecular weight of 314.18 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-2-methyl-3-pyridinyl)-4-methoxypyrrolidine-2-carboxamide is sourced from PubChem (CID 114050908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).