N-(5-bromo-4-methyl-2-pyridinyl)-3-propylpyrrolidine-3-carboxamide

C14H20BrN3O — CID 79734821

IUPACN-(5-bromo-4-methyl-2-pyridinyl)-3-propylpyrrolidine-3-carboxamide
SMILESCCCC1(C(=O)Nc2cc(C)c(Br)cn2)CCNC1
InChIInChI=1S/C14H20BrN3O/c1-3-4-14(5-6-16-9-14)13(19)18-12-7-10(2)11(15)8-17-12/h7-8,16H,3-6,9H2,1-2H3,(H,17,18,19)
InChIKeyRPYDALYAIJQODE-UHFFFAOYSA-N
MW326.24 g/mol
LogP2.87
Rot. Bonds4

About N-(5-bromo-4-methyl-2-pyridinyl)-3-propylpyrrolidine-3-carboxamide

N-(5-bromo-4-methyl-2-pyridinyl)-3-propylpyrrolidine-3-carboxamide (PubChem CID 79734821) has the molecular formula C14H20BrN3O and a molecular weight of 326.24 g/mol. Its IUPAC name is N-(5-bromo-4-methyl-2-pyridinyl)-3-propylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-4-methyl-2-pyridinyl)-3-propylpyrrolidine-3-carboxamide
PubChem CID79734821
Molecular FormulaC14H20BrN3O
Molecular Weight326.24 g/mol
Exact Mass325.08
IUPAC NameN-(5-bromo-4-methyl-2-pyridinyl)-3-propylpyrrolidine-3-carboxamide
SMILESCCCC1(C(=O)Nc2cc(C)c(Br)cn2)CCNC1
InChIInChI=1S/C14H20BrN3O/c1-3-4-14(5-6-16-9-14)13(19)18-12-7-10(2)11(15)8-17-12/h7-8,16H,3-6,9H2,1-2H3,(H,17,18,19)
InChIKeyRPYDALYAIJQODE-UHFFFAOYSA-N
XLogP2.87
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.24
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-bromo-4-methyl-2-pyridinyl)-3-ethylpyrrolidine-3-carboxamide
CID 79734509
N-(2-bromo-5-chlorophenyl)-3-propylpyrrolidine-3-carboxamide
CID 81271547
N-(3-bromophenyl)-3-propylpyrrolidine-3-carboxamide
CID 55164937
N-(4-bromo-2-methoxy-6-methylphenyl)-3-propylpyrrolidine-3-carboxamide
CID 63139955
1-amino-N-(5-bromo-4-methyl-2-pyridinyl)cyclopropane-1-carboxamide
CID 79734115
N-(2-chloro-4-methyl-3-pyridinyl)-3-propylpyrrolidine-3-carboxamide
CID 65488896
3-propyl-N-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide
CID 63138545
N-(4-methyl-1,3-thiazol-2-yl)-3-propylpyrrolidine-3-carboxamide
CID 63138339
3-propyl-N-(2,4,5-trichlorophenyl)pyrrolidine-3-carboxamide
CID 63140733
N-(4-bromo-3-methylphenyl)-3-ethylpyrrolidine-3-carboxamide
CID 63140591
N-(4-hydroxy-2,5-dimethylphenyl)-3-propylpiperidine-3-carboxamide
CID 106954421
N-(4-hydroxyphenyl)-3-propylpyrrolidine-3-carboxamide
CID 63139935

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-4-methyl-2-pyridinyl)-3-propylpyrrolidine-3-carboxamide?
The IUPAC name of N-(5-bromo-4-methyl-2-pyridinyl)-3-propylpyrrolidine-3-carboxamide (CID 79734821) is N-(5-bromo-4-methyl-2-pyridinyl)-3-propylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(5-bromo-4-methyl-2-pyridinyl)-3-propylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(5-bromo-4-methyl-2-pyridinyl)-3-propylpyrrolidine-3-carboxamide is CCCC1(C(=O)Nc2cc(C)c(Br)cn2)CCNC1.
What is the InChIKey of N-(5-bromo-4-methyl-2-pyridinyl)-3-propylpyrrolidine-3-carboxamide?
The InChIKey is RPYDALYAIJQODE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O/c1-3-4-14(5-6-16-9-14)13(19)18-12-7-10(2)11(15)8-17-12/h7-8,16H,3-6,9H2,1-2H3,(H,17,18,19).
What are the key properties of N-(5-bromo-4-methyl-2-pyridinyl)-3-propylpyrrolidine-3-carboxamide?
N-(5-bromo-4-methyl-2-pyridinyl)-3-propylpyrrolidine-3-carboxamide has a molecular weight of 326.24 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-4-methyl-2-pyridinyl)-3-propylpyrrolidine-3-carboxamide is sourced from PubChem (CID 79734821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).