5-bromo-N-heptan-2-ylpyridine-2-carboxamide

C13H19BrN2O — CID 55153825

IUPAC5-bromo-N-heptan-2-ylpyridine-2-carboxamide
SMILESCCCCCC(C)NC(=O)c1ccc(Br)cn1
InChIInChI=1S/C13H19BrN2O/c1-3-4-5-6-10(2)16-13(17)12-8-7-11(14)9-15-12/h7-10H,3-6H2,1-2H3,(H,16,17)
InChIKeyRWPDAPMSVNDYED-UHFFFAOYSA-N
MW299.21 g/mol
LogP3.54
Rot. Bonds6

About 5-bromo-N-heptan-2-ylpyridine-2-carboxamide

5-bromo-N-heptan-2-ylpyridine-2-carboxamide (PubChem CID 55153825) has the molecular formula C13H19BrN2O and a molecular weight of 299.21 g/mol. Its IUPAC name is 5-bromo-N-heptan-2-ylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-heptan-2-ylpyridine-2-carboxamide
PubChem CID55153825
Molecular FormulaC13H19BrN2O
Molecular Weight299.21 g/mol
Exact Mass298.07
IUPAC Name5-bromo-N-heptan-2-ylpyridine-2-carboxamide
SMILESCCCCCC(C)NC(=O)c1ccc(Br)cn1
InChIInChI=1S/C13H19BrN2O/c1-3-4-5-6-10(2)16-13(17)12-8-7-11(14)9-15-12/h7-10H,3-6H2,1-2H3,(H,16,17)
InChIKeyRWPDAPMSVNDYED-UHFFFAOYSA-N
XLogP3.54
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 104640604
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5-bromo-N-[1-(4-bromophenyl)propan-2-yl]pyridine-2-carboxamide
CID 62953884
5-bromo-N-propan-2-ylpyridine-2-carboxamide
CID 26370111
5-bromo-N-(3-ethylpentan-2-yl)pyridine-2-carboxamide
CID 63837989
4-bromo-N-heptan-2-ylbenzamide
CID 3735409
5-(ethylamino)-N-hexan-2-ylpyridine-2-carboxamide
CID 113436154
(2R)-2-[(5-bromopyridine-2-carbonyl)amino]pentanoic acid
CID 107562920
N-(4-amino-4-sulfanylidenebutan-2-yl)-5-bromopyridine-2-carboxamide
CID 62960438
5-bromo-N-(1-chlorobutan-2-yl)pyridine-2-carboxamide
CID 114294391
N-heptan-2-ylquinoline-2-carboxamide
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2,4-dibromo-N-heptan-2-ylbenzamide
CID 114019926

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-heptan-2-ylpyridine-2-carboxamide?
The IUPAC name of 5-bromo-N-heptan-2-ylpyridine-2-carboxamide (CID 55153825) is 5-bromo-N-heptan-2-ylpyridine-2-carboxamide.
What is the SMILES notation for 5-bromo-N-heptan-2-ylpyridine-2-carboxamide?
The canonical SMILES for 5-bromo-N-heptan-2-ylpyridine-2-carboxamide is CCCCCC(C)NC(=O)c1ccc(Br)cn1.
What is the InChIKey of 5-bromo-N-heptan-2-ylpyridine-2-carboxamide?
The InChIKey is RWPDAPMSVNDYED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O/c1-3-4-5-6-10(2)16-13(17)12-8-7-11(14)9-15-12/h7-10H,3-6H2,1-2H3,(H,16,17).
What are the key properties of 5-bromo-N-heptan-2-ylpyridine-2-carboxamide?
5-bromo-N-heptan-2-ylpyridine-2-carboxamide has a molecular weight of 299.21 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-heptan-2-ylpyridine-2-carboxamide is sourced from PubChem (CID 55153825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).