N-(5-bromo-4-methoxy-2-pyridinyl)-3-[(2S)-oxolan-2-yl]propanamide

C13H17BrN2O3 — CID 97328983

IUPACN-(5-bromo-4-methoxy-2-pyridinyl)-3-[(2S)-oxolan-2-yl]propanamide
SMILESCOc1cc(NC(=O)CC[C@@H]2CCCO2)ncc1Br
InChIInChI=1S/C13H17BrN2O3/c1-18-11-7-12(15-8-10(11)14)16-13(17)5-4-9-3-2-6-19-9/h7-9H,2-6H2,1H3,(H,15,16,17)/t9-/m0/s1
InChIKeyNMQVCSQDBCMIEP-VIFPVBQESA-N
MW329.19 g/mol
LogP2.75
Rot. Bonds5

About N-(5-bromo-4-methoxy-2-pyridinyl)-3-[(2S)-oxolan-2-yl]propanamide

N-(5-bromo-4-methoxy-2-pyridinyl)-3-[(2S)-oxolan-2-yl]propanamide (PubChem CID 97328983) has the molecular formula C13H17BrN2O3 and a molecular weight of 329.19 g/mol. Its IUPAC name is N-(5-bromo-4-methoxy-2-pyridinyl)-3-[(2S)-oxolan-2-yl]propanamide.

Molecular Properties

Compound NameN-(5-bromo-4-methoxy-2-pyridinyl)-3-[(2S)-oxolan-2-yl]propanamide
PubChem CID97328983
Molecular FormulaC13H17BrN2O3
Molecular Weight329.19 g/mol
Exact Mass328.04
IUPAC NameN-(5-bromo-4-methoxy-2-pyridinyl)-3-[(2S)-oxolan-2-yl]propanamide
SMILESCOc1cc(NC(=O)CC[C@@H]2CCCO2)ncc1Br
InChIInChI=1S/C13H17BrN2O3/c1-18-11-7-12(15-8-10(11)14)16-13(17)5-4-9-3-2-6-19-9/h7-9H,2-6H2,1H3,(H,15,16,17)/t9-/m0/s1
InChIKeyNMQVCSQDBCMIEP-VIFPVBQESA-N
XLogP2.75
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.19
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-bromo-4-methoxy-2-pyridinyl)-3-[(2R)-oxolan-2-yl]propanamide
CID 97328984
methyl 4-[(5-bromo-4-methoxy-2-pyridinyl)amino]-4-oxobutanoate
CID 89443933
N-(4-amino-2-methoxyphenyl)-3-(oxolan-2-yl)propanamide
CID 65152231
(2R)-N-[3-[(5-bromo-4-methoxy-2-pyridinyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 97249037
N-(3-amino-4-methoxyphenyl)-3-(oxolan-2-yl)propanamide;hydrochloride
CID 119419458
N-(6-bromo-3-pyridinyl)-3-(oxolan-2-yl)propanamide
CID 103789254
N-(2-bromo-4-methylphenyl)-3-(oxolan-2-yl)propanamide
CID 42956762
N-(2,5-dibromophenyl)-3-(oxolan-2-yl)propanamide
CID 55611657
N-(5-tert-butyl-1H-pyrazol-3-yl)-3-(oxolan-2-yl)propanamide
CID 47067695
N-(4-amino-3-methoxyphenyl)-3-(oxan-2-yl)propanamide
CID 63953371
N-(5-amino-2-methoxyphenyl)-3-(oxan-2-yl)propanamide
CID 63950896
3-[(2S)-oxolan-2-yl]-N-pyridin-2-ylpropanamide
CID 51938440

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-4-methoxy-2-pyridinyl)-3-[(2S)-oxolan-2-yl]propanamide?
The IUPAC name of N-(5-bromo-4-methoxy-2-pyridinyl)-3-[(2S)-oxolan-2-yl]propanamide (CID 97328983) is N-(5-bromo-4-methoxy-2-pyridinyl)-3-[(2S)-oxolan-2-yl]propanamide.
What is the SMILES notation for N-(5-bromo-4-methoxy-2-pyridinyl)-3-[(2S)-oxolan-2-yl]propanamide?
The canonical SMILES for N-(5-bromo-4-methoxy-2-pyridinyl)-3-[(2S)-oxolan-2-yl]propanamide is COc1cc(NC(=O)CC[C@@H]2CCCO2)ncc1Br.
What is the InChIKey of N-(5-bromo-4-methoxy-2-pyridinyl)-3-[(2S)-oxolan-2-yl]propanamide?
The InChIKey is NMQVCSQDBCMIEP-VIFPVBQESA-N. The full InChI is InChI=1S/C13H17BrN2O3/c1-18-11-7-12(15-8-10(11)14)16-13(17)5-4-9-3-2-6-19-9/h7-9H,2-6H2,1H3,(H,15,16,17)/t9-/m0/s1.
What are the key properties of N-(5-bromo-4-methoxy-2-pyridinyl)-3-[(2S)-oxolan-2-yl]propanamide?
N-(5-bromo-4-methoxy-2-pyridinyl)-3-[(2S)-oxolan-2-yl]propanamide has a molecular weight of 329.19 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-4-methoxy-2-pyridinyl)-3-[(2S)-oxolan-2-yl]propanamide is sourced from PubChem (CID 97328983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).