N-(5-bromo-6-methyl-2-pyridinyl)-3-(oxolan-2-ylmethoxy)propanamide

C14H19BrN2O3 — CID 71985293

IUPACN-(5-bromo-6-methyl-2-pyridinyl)-3-(oxolan-2-ylmethoxy)propanamide
SMILESCc1nc(NC(=O)CCOCC2CCCO2)ccc1Br
InChIInChI=1S/C14H19BrN2O3/c1-10-12(15)4-5-13(16-10)17-14(18)6-8-19-9-11-3-2-7-20-11/h4-5,11H,2-3,6-9H2,1H3,(H,16,17,18)
InChIKeyIGCYWOKGUIDLNF-UHFFFAOYSA-N
MW343.22 g/mol
LogP2.68
Rot. Bonds6

About N-(5-bromo-6-methyl-2-pyridinyl)-3-(oxolan-2-ylmethoxy)propanamide

N-(5-bromo-6-methyl-2-pyridinyl)-3-(oxolan-2-ylmethoxy)propanamide (PubChem CID 71985293) has the molecular formula C14H19BrN2O3 and a molecular weight of 343.22 g/mol. Its IUPAC name is N-(5-bromo-6-methyl-2-pyridinyl)-3-(oxolan-2-ylmethoxy)propanamide.

Molecular Properties

Compound NameN-(5-bromo-6-methyl-2-pyridinyl)-3-(oxolan-2-ylmethoxy)propanamide
PubChem CID71985293
Molecular FormulaC14H19BrN2O3
Molecular Weight343.22 g/mol
Exact Mass342.06
IUPAC NameN-(5-bromo-6-methyl-2-pyridinyl)-3-(oxolan-2-ylmethoxy)propanamide
SMILESCc1nc(NC(=O)CCOCC2CCCO2)ccc1Br
InChIInChI=1S/C14H19BrN2O3/c1-10-12(15)4-5-13(16-10)17-14(18)6-8-19-9-11-3-2-7-20-11/h4-5,11H,2-3,6-9H2,1H3,(H,16,17,18)
InChIKeyIGCYWOKGUIDLNF-UHFFFAOYSA-N
XLogP2.68
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.22
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(5-chloro-2-methylphenyl)-3-[[(2S)-oxolan-2-yl]methoxy]propanamide
CID 94025746
N-(5-bromo-6-methyl-2-pyridinyl)-4-ethoxybutanamide
CID 79116971
N-[2-(3-bromophenyl)-5-methylpyrazol-3-yl]-3-(oxolan-2-ylmethoxy)propanamide
CID 55760705
N-[4-(4-ethoxyphenoxy)phenyl]-3-(oxolan-2-ylmethoxy)propanamide
CID 55719612
N-(6-methylindolo[1,2-c]quinazolin-12-yl)-3-(oxolan-2-ylmethoxy)propanamide
CID 55754437
N-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-(oxolan-2-ylmethoxy)propanamide
CID 78876204
3-(oxolan-2-ylmethoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide
CID 87018859
N-(4-benzyl-5-phenyl-1,3-thiazol-2-yl)-3-(oxolan-2-ylmethoxy)propanamide
CID 55721483
N-(2-aminoethyl)-2-[3-(oxolan-2-ylmethoxy)propanoylamino]benzamide;hydrochloride
CID 120603852
2-bromo-3-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide
CID 103854604
3-(oxolan-2-ylmethoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 55753164
N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(oxolan-2-ylmethoxy)propanamide
CID 55754467

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-6-methyl-2-pyridinyl)-3-(oxolan-2-ylmethoxy)propanamide?
The IUPAC name of N-(5-bromo-6-methyl-2-pyridinyl)-3-(oxolan-2-ylmethoxy)propanamide (CID 71985293) is N-(5-bromo-6-methyl-2-pyridinyl)-3-(oxolan-2-ylmethoxy)propanamide.
What is the SMILES notation for N-(5-bromo-6-methyl-2-pyridinyl)-3-(oxolan-2-ylmethoxy)propanamide?
The canonical SMILES for N-(5-bromo-6-methyl-2-pyridinyl)-3-(oxolan-2-ylmethoxy)propanamide is Cc1nc(NC(=O)CCOCC2CCCO2)ccc1Br.
What is the InChIKey of N-(5-bromo-6-methyl-2-pyridinyl)-3-(oxolan-2-ylmethoxy)propanamide?
The InChIKey is IGCYWOKGUIDLNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O3/c1-10-12(15)4-5-13(16-10)17-14(18)6-8-19-9-11-3-2-7-20-11/h4-5,11H,2-3,6-9H2,1H3,(H,16,17,18).
What are the key properties of N-(5-bromo-6-methyl-2-pyridinyl)-3-(oxolan-2-ylmethoxy)propanamide?
N-(5-bromo-6-methyl-2-pyridinyl)-3-(oxolan-2-ylmethoxy)propanamide has a molecular weight of 343.22 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-6-methyl-2-pyridinyl)-3-(oxolan-2-ylmethoxy)propanamide is sourced from PubChem (CID 71985293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).