2-bromo-N-ethyl-N-prop-2-ynylpyridine-3-carboxamide

C11H11BrN2O — CID 103754874

IUPAC2-bromo-N-ethyl-N-prop-2-ynylpyridine-3-carboxamide
SMILESC#CCN(CC)C(=O)c1cccnc1Br
InChIInChI=1S/C11H11BrN2O/c1-3-8-14(4-2)11(15)9-6-5-7-13-10(9)12/h1,5-7H,4,8H2,2H3
InChIKeyCRRSWPHPEKOYNA-UHFFFAOYSA-N
MW267.13 g/mol
LogP1.94
Rot. Bonds3

About 2-bromo-N-ethyl-N-prop-2-ynylpyridine-3-carboxamide

2-bromo-N-ethyl-N-prop-2-ynylpyridine-3-carboxamide (PubChem CID 103754874) has the molecular formula C11H11BrN2O and a molecular weight of 267.13 g/mol. Its IUPAC name is 2-bromo-N-ethyl-N-prop-2-ynylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-ethyl-N-prop-2-ynylpyridine-3-carboxamide
PubChem CID103754874
Molecular FormulaC11H11BrN2O
Molecular Weight267.13 g/mol
Exact Mass266.01
IUPAC Name2-bromo-N-ethyl-N-prop-2-ynylpyridine-3-carboxamide
SMILESC#CCN(CC)C(=O)c1cccnc1Br
InChIInChI=1S/C11H11BrN2O/c1-3-8-14(4-2)11(15)9-6-5-7-13-10(9)12/h1,5-7H,4,8H2,2H3
InChIKeyCRRSWPHPEKOYNA-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

2-bromo-N-propyl-N-prop-2-ynylpyridine-3-carboxamide
CID 103754870
2-bromo-N-ethyl-N-(2-ethylbutyl)pyridine-3-carboxamide
CID 103752405
2-bromo-N-(2-cyanopropyl)-N-ethylpyridine-3-carboxamide
CID 113255171
3-amino-N-ethyl-N-prop-2-ynylpyridine-2-carboxamide
CID 104742746
2-bromo-N-pent-4-ynylpyridine-3-carboxamide
CID 103755606
6-bromo-N-ethyl-N-prop-2-ynylpyridine-2-carboxamide
CID 103889846
N-ethyl-2-hydroxy-3-methyl-N-prop-2-ynylbenzamide
CID 78971076
2-bromo-N-butyl-N-(2-hydroxyethyl)pyridine-3-carboxamide
CID 88634155
2-bromo-N,N-bis(prop-2-enyl)pyridine-3-carboxamide
CID 103751770
2-bromo-N-ethyl-5-methyl-N-prop-2-ynylbenzamide
CID 80976098
2-bromo-N-[2-(dimethylamino)-2-oxoethyl]-N-propylpyridine-3-carboxamide
CID 103752570
2-bromo-N-(1,1-dioxothiolan-3-yl)-N-prop-2-ynylpyridine-3-carboxamide
CID 103754831

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-ethyl-N-prop-2-ynylpyridine-3-carboxamide?
The IUPAC name of 2-bromo-N-ethyl-N-prop-2-ynylpyridine-3-carboxamide (CID 103754874) is 2-bromo-N-ethyl-N-prop-2-ynylpyridine-3-carboxamide.
What is the SMILES notation for 2-bromo-N-ethyl-N-prop-2-ynylpyridine-3-carboxamide?
The canonical SMILES for 2-bromo-N-ethyl-N-prop-2-ynylpyridine-3-carboxamide is C#CCN(CC)C(=O)c1cccnc1Br.
What is the InChIKey of 2-bromo-N-ethyl-N-prop-2-ynylpyridine-3-carboxamide?
The InChIKey is CRRSWPHPEKOYNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O/c1-3-8-14(4-2)11(15)9-6-5-7-13-10(9)12/h1,5-7H,4,8H2,2H3.
What are the key properties of 2-bromo-N-ethyl-N-prop-2-ynylpyridine-3-carboxamide?
2-bromo-N-ethyl-N-prop-2-ynylpyridine-3-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 2-bromo-N-ethyl-N-prop-2-ynylpyridine-3-carboxamide is sourced from PubChem (CID 103754874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).