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

C11H11BrN2O — CID 103709015

IUPAC5-bromo-N-pent-4-ynylpyridine-3-carboxamide
SMILESC#CCCCNC(=O)c1cncc(Br)c1
InChIInChI=1S/C11H11BrN2O/c1-2-3-4-5-14-11(15)9-6-10(12)8-13-7-9/h1,6-8H,3-5H2,(H,14,15)
InChIKeyVDLXAFFRAWRCCE-UHFFFAOYSA-N
MW267.13 g/mol
LogP1.99
Rot. Bonds4

About 5-bromo-N-pent-4-ynylpyridine-3-carboxamide

5-bromo-N-pent-4-ynylpyridine-3-carboxamide (PubChem CID 103709015) has the molecular formula C11H11BrN2O and a molecular weight of 267.13 g/mol. Its IUPAC name is 5-bromo-N-pent-4-ynylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-pent-4-ynylpyridine-3-carboxamide
PubChem CID103709015
Molecular FormulaC11H11BrN2O
Molecular Weight267.13 g/mol
Exact Mass266.01
IUPAC Name5-bromo-N-pent-4-ynylpyridine-3-carboxamide
SMILESC#CCCCNC(=O)c1cncc(Br)c1
InChIInChI=1S/C11H11BrN2O/c1-2-3-4-5-14-11(15)9-6-10(12)8-13-7-9/h1,6-8H,3-5H2,(H,14,15)
InChIKeyVDLXAFFRAWRCCE-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3-aminopropyl)-5-bromopyridine-3-carboxamide;dihydrochloride
CID 119408157
5-bromo-N-[3-(methylamino)propyl]pyridine-3-carboxamide
CID 43600789
3-bromo-5-fluoro-N-pent-4-ynylbenzamide
CID 103708770
5-bromo-N-[3-(diethylamino)propyl]pyridine-3-carboxamide
CID 60628479
N-pent-4-ynylpyridine-3-carboxamide
CID 103709101
5-bromo-N-(3-propoxypropyl)pyridine-3-carboxamide
CID 82944503
5-[(5-bromopyridine-3-carbonyl)amino]-2-methylpentanoic acid
CID 104682071
5-bromo-N-(3-methylbutyl)pyridine-3-carboxamide
CID 21352689
3-bromo-5-chloro-N-hex-5-ynylbenzamide
CID 103827024
3-bromo-N-hex-5-ynyl-5-nitrobenzamide
CID 113267943
5-bromo-N-(3-imidazol-1-ylpropyl)pyridine-3-carboxamide
CID 51155858
5-bromo-N-pent-4-ynylpyridin-3-amine
CID 103704408

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-pent-4-ynylpyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-pent-4-ynylpyridine-3-carboxamide (CID 103709015) is 5-bromo-N-pent-4-ynylpyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-pent-4-ynylpyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-pent-4-ynylpyridine-3-carboxamide is C#CCCCNC(=O)c1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-pent-4-ynylpyridine-3-carboxamide?
The InChIKey is VDLXAFFRAWRCCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O/c1-2-3-4-5-14-11(15)9-6-10(12)8-13-7-9/h1,6-8H,3-5H2,(H,14,15).
What are the key properties of 5-bromo-N-pent-4-ynylpyridine-3-carboxamide?
5-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 5-bromo-N-pent-4-ynylpyridine-3-carboxamide is sourced from PubChem (CID 103709015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).