6-bromo-N-ethyl-N-prop-2-ynylpyridine-2-carboxamide

C11H11BrN2O — CID 103889846

IUPAC6-bromo-N-ethyl-N-prop-2-ynylpyridine-2-carboxamide
SMILESC#CCN(CC)C(=O)c1cccc(Br)n1
InChIInChI=1S/C11H11BrN2O/c1-3-8-14(4-2)11(15)9-6-5-7-10(12)13-9/h1,5-7H,4,8H2,2H3
InChIKeySNBPEXMGRCKJPD-UHFFFAOYSA-N
MW267.13 g/mol
LogP1.94
Rot. Bonds3

About 6-bromo-N-ethyl-N-prop-2-ynylpyridine-2-carboxamide

6-bromo-N-ethyl-N-prop-2-ynylpyridine-2-carboxamide (PubChem CID 103889846) has the molecular formula C11H11BrN2O and a molecular weight of 267.13 g/mol. Its IUPAC name is 6-bromo-N-ethyl-N-prop-2-ynylpyridine-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-ethyl-N-prop-2-ynylpyridine-2-carboxamide
PubChem CID103889846
Molecular FormulaC11H11BrN2O
Molecular Weight267.13 g/mol
Exact Mass266.01
IUPAC Name6-bromo-N-ethyl-N-prop-2-ynylpyridine-2-carboxamide
SMILESC#CCN(CC)C(=O)c1cccc(Br)n1
InChIInChI=1S/C11H11BrN2O/c1-3-8-14(4-2)11(15)9-6-5-7-10(12)13-9/h1,5-7H,4,8H2,2H3
InChIKeySNBPEXMGRCKJPD-UHFFFAOYSA-N
XLogP1.94
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.13
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

6-bromo-N-propyl-N-prop-2-ynylpyridine-2-carboxamide
CID 103889845
6-bromo-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide
CID 103890041
2-bromo-N-ethyl-N-prop-2-ynylpyridine-3-carboxamide
CID 103754874
N-ethyl-1-hydroxy-N-prop-2-ynylnaphthalene-2-carboxamide
CID 78971167
6-bromo-N-ethyl-N-(4-methylphenyl)pyridine-2-carboxamide
CID 103889658
N-ethyl-2-hydroxy-3-methyl-N-prop-2-ynylbenzamide
CID 78971076
N-ethyl-N-prop-2-ynylisoquinoline-1-carboxamide
CID 78918007
N-benzyl-6-bromo-N-(cyanomethyl)pyridine-2-carboxamide
CID 103889818
6-bromo-N-[2-oxo-2-(propylamino)ethyl]-N-propylpyridine-2-carboxamide
CID 103874286
N-(cyclopropylmethyl)-6-methyl-N-prop-2-ynylpyridine-2-carboxamide
CID 115532611
3,6-dichloro-N-ethyl-N-prop-2-ynylpyridine-2-carboxamide
CID 78970836
2-bromo-N-ethyl-5-methyl-N-prop-2-ynylbenzamide
CID 80976098

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-ethyl-N-prop-2-ynylpyridine-2-carboxamide?
The IUPAC name of 6-bromo-N-ethyl-N-prop-2-ynylpyridine-2-carboxamide (CID 103889846) is 6-bromo-N-ethyl-N-prop-2-ynylpyridine-2-carboxamide.
What is the SMILES notation for 6-bromo-N-ethyl-N-prop-2-ynylpyridine-2-carboxamide?
The canonical SMILES for 6-bromo-N-ethyl-N-prop-2-ynylpyridine-2-carboxamide is C#CCN(CC)C(=O)c1cccc(Br)n1.
What is the InChIKey of 6-bromo-N-ethyl-N-prop-2-ynylpyridine-2-carboxamide?
The InChIKey is SNBPEXMGRCKJPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O/c1-3-8-14(4-2)11(15)9-6-5-7-10(12)13-9/h1,5-7H,4,8H2,2H3.
What are the key properties of 6-bromo-N-ethyl-N-prop-2-ynylpyridine-2-carboxamide?
6-bromo-N-ethyl-N-prop-2-ynylpyridine-2-carboxamide has a molecular weight of 267.13 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-ethyl-N-prop-2-ynylpyridine-2-carboxamide is sourced from PubChem (CID 103889846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).