3-bromo-N-[(4,6-dimethyl-3-pyridinyl)methyl]prop-2-ynamide

C11H11BrN2O — CID 130944215

IUPAC3-bromo-N-[(4,6-dimethyl-3-pyridinyl)methyl]prop-2-ynamide
SMILESCc1cc(C)c(CNC(=O)C#CBr)cn1
InChIInChI=1S/C11H11BrN2O/c1-8-5-9(2)13-6-10(8)7-14-11(15)3-4-12/h5-6H,7H2,1-2H3,(H,14,15)
InChIKeyUYIPYICXIDVBAA-UHFFFAOYSA-N
MW267.13 g/mol
LogP1.67
Rot. Bonds2

About 3-bromo-N-[(4,6-dimethyl-3-pyridinyl)methyl]prop-2-ynamide

3-bromo-N-[(4,6-dimethyl-3-pyridinyl)methyl]prop-2-ynamide (PubChem CID 130944215) has the molecular formula C11H11BrN2O and a molecular weight of 267.13 g/mol. Its IUPAC name is 3-bromo-N-[(4,6-dimethyl-3-pyridinyl)methyl]prop-2-ynamide.

Molecular Properties

Compound Name3-bromo-N-[(4,6-dimethyl-3-pyridinyl)methyl]prop-2-ynamide
PubChem CID130944215
Molecular FormulaC11H11BrN2O
Molecular Weight267.13 g/mol
Exact Mass266.01
IUPAC Name3-bromo-N-[(4,6-dimethyl-3-pyridinyl)methyl]prop-2-ynamide
SMILESCc1cc(C)c(CNC(=O)C#CBr)cn1
InChIInChI=1S/C11H11BrN2O/c1-8-5-9(2)13-6-10(8)7-14-11(15)3-4-12/h5-6H,7H2,1-2H3,(H,14,15)
InChIKeyUYIPYICXIDVBAA-UHFFFAOYSA-N
XLogP1.67
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.13
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(dimethylamino)-N-[(4,6-dimethyl-3-pyridinyl)methyl]propanamide
CID 119059769
3-bromo-N-[(2-methyl-1,3-thiazol-5-yl)methyl]prop-2-ynamide
CID 126988210
N-[(4,6-dimethyl-3-pyridinyl)methyl]-2-propan-2-ylsulfanylacetamide
CID 91842420
N-[(4,6-dimethyl-3-pyridinyl)methyl]prop-2-yn-1-amine
CID 130870041
2-(4,6-dimethyl-3-pyridinyl)-N,N-dimethylacetamide
CID 142686541
N-[(4,6-dimethyl-3-pyridinyl)methyl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide
CID 70781233
5-(chloromethyl)-2,4-dimethylpyridine;hydrochloride
CID 155822261
5-(bromomethyl)-2,4-dimethylpyridine;hydrobromide
CID 155977820
2-(4,6-dimethyl-3-pyridinyl)-N-(2-hydroxyphenyl)acetamide
CID 142686542
N-[(4,6-dimethyl-3-pyridinyl)methyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 70783506
N-[(4,6-dimethyl-3-pyridinyl)methyl]-2-pyrrol-1-ylpentanamide;formic acid
CID 154909396
N-[(4,6-dimethyl-3-pyridinyl)methyl]-4-(2-oxopiperidin-1-yl)butanamide
CID 91760078

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(4,6-dimethyl-3-pyridinyl)methyl]prop-2-ynamide?
The IUPAC name of 3-bromo-N-[(4,6-dimethyl-3-pyridinyl)methyl]prop-2-ynamide (CID 130944215) is 3-bromo-N-[(4,6-dimethyl-3-pyridinyl)methyl]prop-2-ynamide.
What is the SMILES notation for 3-bromo-N-[(4,6-dimethyl-3-pyridinyl)methyl]prop-2-ynamide?
The canonical SMILES for 3-bromo-N-[(4,6-dimethyl-3-pyridinyl)methyl]prop-2-ynamide is Cc1cc(C)c(CNC(=O)C#CBr)cn1.
What is the InChIKey of 3-bromo-N-[(4,6-dimethyl-3-pyridinyl)methyl]prop-2-ynamide?
The InChIKey is UYIPYICXIDVBAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O/c1-8-5-9(2)13-6-10(8)7-14-11(15)3-4-12/h5-6H,7H2,1-2H3,(H,14,15).
What are the key properties of 3-bromo-N-[(4,6-dimethyl-3-pyridinyl)methyl]prop-2-ynamide?
3-bromo-N-[(4,6-dimethyl-3-pyridinyl)methyl]prop-2-ynamide has a molecular weight of 267.13 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(4,6-dimethyl-3-pyridinyl)methyl]prop-2-ynamide is sourced from PubChem (CID 130944215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).