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

C12H15BrN2O — CID 163238093

IUPAC2-bromo-N-[5-(cyclopropylmethyl)-2-pyridinyl]propanamide
SMILESCC(Br)C(=O)Nc1ccc(CC2CC2)cn1
InChIInChI=1S/C12H15BrN2O/c1-8(13)12(16)15-11-5-4-10(7-14-11)6-9-2-3-9/h4-5,7-9H,2-3,6H2,1H3,(H,14,15,16)
InChIKeyZNODQISDHCPFTN-UHFFFAOYSA-N
MW283.17 g/mol
LogP2.76
Rot. Bonds4

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

2-bromo-N-[5-(cyclopropylmethyl)-2-pyridinyl]propanamide (PubChem CID 163238093) has the molecular formula C12H15BrN2O and a molecular weight of 283.17 g/mol. Its IUPAC name is 2-bromo-N-[5-(cyclopropylmethyl)-2-pyridinyl]propanamide.

Molecular Properties

Compound Name2-bromo-N-[5-(cyclopropylmethyl)-2-pyridinyl]propanamide
PubChem CID163238093
Molecular FormulaC12H15BrN2O
Molecular Weight283.17 g/mol
Exact Mass282.04
IUPAC Name2-bromo-N-[5-(cyclopropylmethyl)-2-pyridinyl]propanamide
SMILESCC(Br)C(=O)Nc1ccc(CC2CC2)cn1
InChIInChI=1S/C12H15BrN2O/c1-8(13)12(16)15-11-5-4-10(7-14-11)6-9-2-3-9/h4-5,7-9H,2-3,6H2,1H3,(H,14,15,16)
InChIKeyZNODQISDHCPFTN-UHFFFAOYSA-N
XLogP2.76
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.17
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-[5-(cyclopropylmethoxy)-2-pyridinyl]propanamide
CID 163238031
cyclobutyl 6-(2-bromopropanoylamino)pyridine-3-carboxylate
CID 163237778
N-[5-(hydroxymethyl)-2-pyridinyl]-2-methylpropanamide
CID 82343659
2-bromo-N-(5-phenylmethoxy-2-pyridinyl)propanamide
CID 163237790
N-[5-(oxiran-2-ylmethyl)-2-pyridinyl]acetamide
CID 19385019
2-bromo-N-[5-(6-methyl-2-pyridinyl)-2-pyridinyl]propanamide
CID 163237996
1-(5-cyclopropyl-1H-pyrazol-4-yl)-3-[5-(3-methylbutyl)-2-pyridinyl]urea
CID 166244026
N-[5-(4-benzylpiperidin-1-yl)-2-pyridinyl]-3-methylbutanamide
CID 113030634
N-(5-bromo-2-pyridinyl)-2-methylpropanamide
CID 14988412
2-[5-(cyclohexylmethyl)-2-pyridinyl]propanamide
CID 175704512
2-bromo-N-(5-bromo-2-pyridinyl)-3-methylbutanamide
CID 43114357
2-bromo-N-(6-chloropyridazin-3-yl)propanamide
CID 107905835

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[5-(cyclopropylmethyl)-2-pyridinyl]propanamide?
The IUPAC name of 2-bromo-N-[5-(cyclopropylmethyl)-2-pyridinyl]propanamide (CID 163238093) is 2-bromo-N-[5-(cyclopropylmethyl)-2-pyridinyl]propanamide.
What is the SMILES notation for 2-bromo-N-[5-(cyclopropylmethyl)-2-pyridinyl]propanamide?
The canonical SMILES for 2-bromo-N-[5-(cyclopropylmethyl)-2-pyridinyl]propanamide is CC(Br)C(=O)Nc1ccc(CC2CC2)cn1.
What is the InChIKey of 2-bromo-N-[5-(cyclopropylmethyl)-2-pyridinyl]propanamide?
The InChIKey is ZNODQISDHCPFTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O/c1-8(13)12(16)15-11-5-4-10(7-14-11)6-9-2-3-9/h4-5,7-9H,2-3,6H2,1H3,(H,14,15,16).
What are the key properties of 2-bromo-N-[5-(cyclopropylmethyl)-2-pyridinyl]propanamide?
2-bromo-N-[5-(cyclopropylmethyl)-2-pyridinyl]propanamide has a molecular weight of 283.17 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[5-(cyclopropylmethyl)-2-pyridinyl]propanamide is sourced from PubChem (CID 163238093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).