2-bromo-N-pent-4-ynylpyridine-3-carboxamide

C11H11BrN2O — CID 103755606

IUPAC2-bromo-N-pent-4-ynylpyridine-3-carboxamide
SMILESC#CCCCNC(=O)c1cccnc1Br
InChIInChI=1S/C11H11BrN2O/c1-2-3-4-7-14-11(15)9-6-5-8-13-10(9)12/h1,5-6,8H,3-4,7H2,(H,14,15)
InChIKeyBGXKMOXBSAQBEP-UHFFFAOYSA-N
MW267.13 g/mol
LogP1.99
Rot. Bonds4

About 2-bromo-N-pent-4-ynylpyridine-3-carboxamide

2-bromo-N-pent-4-ynylpyridine-3-carboxamide (PubChem CID 103755606) has the molecular formula C11H11BrN2O and a molecular weight of 267.13 g/mol. Its IUPAC name is 2-bromo-N-pent-4-ynylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-pent-4-ynylpyridine-3-carboxamide
PubChem CID103755606
Molecular FormulaC11H11BrN2O
Molecular Weight267.13 g/mol
Exact Mass266.01
IUPAC Name2-bromo-N-pent-4-ynylpyridine-3-carboxamide
SMILESC#CCCCNC(=O)c1cccnc1Br
InChIInChI=1S/C11H11BrN2O/c1-2-3-4-7-14-11(15)9-6-5-8-13-10(9)12/h1,5-6,8H,3-4,7H2,(H,14,15)
InChIKeyBGXKMOXBSAQBEP-UHFFFAOYSA-N
XLogP1.99
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.13
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-(3-hydroxypropyl)pyridine-3-carboxamide
CID 103819583
2-bromo-N-(3-pyrrolidin-1-ylpropyl)pyridine-3-carboxamide
CID 103753970
2-bromo-N-(5-methoxypentyl)pyridine-3-carboxamide
CID 103755024
N-pent-4-ynylquinoxaline-5-carboxamide
CID 113428882
3-amino-2-bromo-N-pent-4-ynylbenzamide
CID 106219842
methyl 6-[(2-bromopyridine-3-carbonyl)amino]hexanoate
CID 113255495
2-bromo-N-(5-hydroxy-4-methylpentyl)pyridine-3-carboxamide
CID 103862151
2-bromo-N-[3-(1H-imidazol-2-yl)propyl]pyridine-3-carboxamide
CID 114036178
2-iodo-N-pent-4-ynylbenzamide
CID 103709110
2-bromo-N-[3-(methylamino)-3-oxopropyl]pyridine-3-carboxamide
CID 103754952
2-bromo-N-(3-hydroxybutyl)pyridine-3-carboxamide
CID 103755462
2-ethyl-N-pent-4-ynylbenzamide
CID 103816602

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-pent-4-ynylpyridine-3-carboxamide?
The IUPAC name of 2-bromo-N-pent-4-ynylpyridine-3-carboxamide (CID 103755606) is 2-bromo-N-pent-4-ynylpyridine-3-carboxamide.
What is the SMILES notation for 2-bromo-N-pent-4-ynylpyridine-3-carboxamide?
The canonical SMILES for 2-bromo-N-pent-4-ynylpyridine-3-carboxamide is C#CCCCNC(=O)c1cccnc1Br.
What is the InChIKey of 2-bromo-N-pent-4-ynylpyridine-3-carboxamide?
The InChIKey is BGXKMOXBSAQBEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O/c1-2-3-4-7-14-11(15)9-6-5-8-13-10(9)12/h1,5-6,8H,3-4,7H2,(H,14,15).
What are the key properties of 2-bromo-N-pent-4-ynylpyridine-3-carboxamide?
2-bromo-N-pent-4-ynylpyridine-3-carboxamide has a molecular weight of 267.13 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-pent-4-ynylpyridine-3-carboxamide is sourced from PubChem (CID 103755606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).