2-[(5-bromo-3-pyridinyl)methylamino]-N-cyclopropylpropanamide

C12H16BrN3O — CID 104797136

IUPAC2-[(5-bromo-3-pyridinyl)methylamino]-N-cyclopropylpropanamide
SMILESCC(NCc1cncc(Br)c1)C(=O)NC1CC1
InChIInChI=1S/C12H16BrN3O/c1-8(12(17)16-11-2-3-11)15-6-9-4-10(13)7-14-5-9/h4-5,7-8,11,15H,2-3,6H2,1H3,(H,16,17)
InChIKeyIHUUHURNFPIWTF-UHFFFAOYSA-N
MW298.18 g/mol
LogP1.60
Rot. Bonds5

About 2-[(5-bromo-3-pyridinyl)methylamino]-N-cyclopropylpropanamide

2-[(5-bromo-3-pyridinyl)methylamino]-N-cyclopropylpropanamide (PubChem CID 104797136) has the molecular formula C12H16BrN3O and a molecular weight of 298.18 g/mol. Its IUPAC name is 2-[(5-bromo-3-pyridinyl)methylamino]-N-cyclopropylpropanamide.

Molecular Properties

Compound Name2-[(5-bromo-3-pyridinyl)methylamino]-N-cyclopropylpropanamide
PubChem CID104797136
Molecular FormulaC12H16BrN3O
Molecular Weight298.18 g/mol
Exact Mass297.05
IUPAC Name2-[(5-bromo-3-pyridinyl)methylamino]-N-cyclopropylpropanamide
SMILESCC(NCc1cncc(Br)c1)C(=O)NC1CC1
InChIInChI=1S/C12H16BrN3O/c1-8(12(17)16-11-2-3-11)15-6-9-4-10(13)7-14-5-9/h4-5,7-8,11,15H,2-3,6H2,1H3,(H,16,17)
InChIKeyIHUUHURNFPIWTF-UHFFFAOYSA-N
XLogP1.60
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.18
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-N-[(5-bromo-3-pyridinyl)methyl]-1-cycloheptylethanamine
CID 104580020
(1R)-N-[(5-bromo-3-pyridinyl)methyl]-1-cycloheptylethanamine
CID 104580046
2-[(3-bromophenyl)methylamino]-N-cyclohexylpropanamide
CID 61401079
2-[(5-bromo-3-pyridinyl)methylamino]-1-piperidin-1-ylpropan-1-one
CID 104797141
2-[(5-bromo-3-pyridinyl)amino]-N-cyclopentylpropanamide
CID 113350201
tert-butyl N-[4-[(5-bromo-3-pyridinyl)methylamino]cyclohexyl]carbamate
CID 104856976
methyl 2-[(5-bromo-3-pyridinyl)methylamino]-3-methylpentanoate
CID 104578656
2-(5-bromo-3-pyridinyl)-1-cyclopentyl-N-methylethanamine
CID 104801480
N-cyclopropyl-2-[[3-(methoxymethyl)phenyl]methylamino]propanamide
CID 54896696
N-[(5-bromo-3-pyridinyl)methyl]-5-methylhexan-2-amine
CID 104796938
3-(5-bromo-3-pyridinyl)-1-cyclopropyl-N-methylpropan-1-amine
CID 104800108
N-cyclopentyl-2-[(4-methylphenyl)methylamino]propanamide
CID 43083735

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-3-pyridinyl)methylamino]-N-cyclopropylpropanamide?
The IUPAC name of 2-[(5-bromo-3-pyridinyl)methylamino]-N-cyclopropylpropanamide (CID 104797136) is 2-[(5-bromo-3-pyridinyl)methylamino]-N-cyclopropylpropanamide.
What is the SMILES notation for 2-[(5-bromo-3-pyridinyl)methylamino]-N-cyclopropylpropanamide?
The canonical SMILES for 2-[(5-bromo-3-pyridinyl)methylamino]-N-cyclopropylpropanamide is CC(NCc1cncc(Br)c1)C(=O)NC1CC1.
What is the InChIKey of 2-[(5-bromo-3-pyridinyl)methylamino]-N-cyclopropylpropanamide?
The InChIKey is IHUUHURNFPIWTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN3O/c1-8(12(17)16-11-2-3-11)15-6-9-4-10(13)7-14-5-9/h4-5,7-8,11,15H,2-3,6H2,1H3,(H,16,17).
What are the key properties of 2-[(5-bromo-3-pyridinyl)methylamino]-N-cyclopropylpropanamide?
2-[(5-bromo-3-pyridinyl)methylamino]-N-cyclopropylpropanamide has a molecular weight of 298.18 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-3-pyridinyl)methylamino]-N-cyclopropylpropanamide is sourced from PubChem (CID 104797136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).