2-bromo-N-[5-(cyclopropylmethoxy)-2-pyridinyl]propanamide

C12H15BrN2O2 — CID 163238031

IUPAC2-bromo-N-[5-(cyclopropylmethoxy)-2-pyridinyl]propanamide
SMILESCC(Br)C(=O)Nc1ccc(OCC2CC2)cn1
InChIInChI=1S/C12H15BrN2O2/c1-8(13)12(16)15-11-5-4-10(6-14-11)17-7-9-2-3-9/h4-6,8-9H,2-3,7H2,1H3,(H,14,15,16)
InChIKeyTYDFPIPMRMANOQ-UHFFFAOYSA-N
MW299.17 g/mol
LogP2.59
Rot. Bonds5

About 2-bromo-N-[5-(cyclopropylmethoxy)-2-pyridinyl]propanamide

2-bromo-N-[5-(cyclopropylmethoxy)-2-pyridinyl]propanamide (PubChem CID 163238031) has the molecular formula C12H15BrN2O2 and a molecular weight of 299.17 g/mol. Its IUPAC name is 2-bromo-N-[5-(cyclopropylmethoxy)-2-pyridinyl]propanamide.

Molecular Properties

Compound Name2-bromo-N-[5-(cyclopropylmethoxy)-2-pyridinyl]propanamide
PubChem CID163238031
Molecular FormulaC12H15BrN2O2
Molecular Weight299.17 g/mol
Exact Mass298.03
IUPAC Name2-bromo-N-[5-(cyclopropylmethoxy)-2-pyridinyl]propanamide
SMILESCC(Br)C(=O)Nc1ccc(OCC2CC2)cn1
InChIInChI=1S/C12H15BrN2O2/c1-8(13)12(16)15-11-5-4-10(6-14-11)17-7-9-2-3-9/h4-6,8-9H,2-3,7H2,1H3,(H,14,15,16)
InChIKeyTYDFPIPMRMANOQ-UHFFFAOYSA-N
XLogP2.59
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.17
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-[5-(cyclopropylmethyl)-2-pyridinyl]propanamide
CID 163238093
2-bromo-N-(5-phenylmethoxy-2-pyridinyl)propanamide
CID 163237790
(2S)-N-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propanamide
CID 164584665
cyclobutyl 6-(2-bromopropanoylamino)pyridine-3-carboxylate
CID 163237778
(2S)-N-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[(3S)-4,4-difluoro-3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]propanamide
CID 164584495
(2R)-2-bromo-N-[5-(2,4-difluorophenoxy)-2-pyridinyl]propanamide
CID 163237982
N-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[4,4-difluoro-3-methyl-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]propanamide
CID 164734906
(2S)-N-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[5-(6-phenylmethoxypyridazin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]propanamide
CID 164734679
(2S)-N-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[(3S)-4,4-difluoro-3-[5-(2-hydroxypropan-2-yl)-6-oxo-1H-pyridin-3-yl]piperidin-1-yl]propanamide
CID 164734814
N-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[4,4-difluoro-3-[5-(2-hydroxypropan-2-yl)-6-oxo-1H-pyridin-3-yl]piperidin-1-yl]propanamide
CID 163238185
2-amino-N-[4-(cyclopropylmethoxy)phenyl]pentanamide
CID 119325264
2-bromo-N-(5-bromo-2-pyridinyl)-3-methylbutanamide
CID 43114357

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[5-(cyclopropylmethoxy)-2-pyridinyl]propanamide?
The IUPAC name of 2-bromo-N-[5-(cyclopropylmethoxy)-2-pyridinyl]propanamide (CID 163238031) is 2-bromo-N-[5-(cyclopropylmethoxy)-2-pyridinyl]propanamide.
What is the SMILES notation for 2-bromo-N-[5-(cyclopropylmethoxy)-2-pyridinyl]propanamide?
The canonical SMILES for 2-bromo-N-[5-(cyclopropylmethoxy)-2-pyridinyl]propanamide is CC(Br)C(=O)Nc1ccc(OCC2CC2)cn1.
What is the InChIKey of 2-bromo-N-[5-(cyclopropylmethoxy)-2-pyridinyl]propanamide?
The InChIKey is TYDFPIPMRMANOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O2/c1-8(13)12(16)15-11-5-4-10(6-14-11)17-7-9-2-3-9/h4-6,8-9H,2-3,7H2,1H3,(H,14,15,16).
What are the key properties of 2-bromo-N-[5-(cyclopropylmethoxy)-2-pyridinyl]propanamide?
2-bromo-N-[5-(cyclopropylmethoxy)-2-pyridinyl]propanamide has a molecular weight of 299.17 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[5-(cyclopropylmethoxy)-2-pyridinyl]propanamide is sourced from PubChem (CID 163238031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).