4-bromo-N-dodecylpyridine-2-carboxamide

C18H29BrN2O — CID 132587561

IUPAC4-bromo-N-dodecylpyridine-2-carboxamide
SMILESCCCCCCCCCCCCNC(=O)c1cc(Br)ccn1
InChIInChI=1S/C18H29BrN2O/c1-2-3-4-5-6-7-8-9-10-11-13-21-18(22)17-15-16(19)12-14-20-17/h12,14-15H,2-11,13H2,1H3,(H,21,22)
InChIKeyAQTADRPBOGMVGW-UHFFFAOYSA-N
MW369.35 g/mol
LogP5.49
Rot. Bonds12

About 4-bromo-N-dodecylpyridine-2-carboxamide

4-bromo-N-dodecylpyridine-2-carboxamide (PubChem CID 132587561) has the molecular formula C18H29BrN2O and a molecular weight of 369.35 g/mol. Its IUPAC name is 4-bromo-N-dodecylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-dodecylpyridine-2-carboxamide
PubChem CID132587561
Molecular FormulaC18H29BrN2O
Molecular Weight369.35 g/mol
Exact Mass368.15
IUPAC Name4-bromo-N-dodecylpyridine-2-carboxamide
SMILESCCCCCCCCCCCCNC(=O)c1cc(Br)ccn1
InChIInChI=1S/C18H29BrN2O/c1-2-3-4-5-6-7-8-9-10-11-13-21-18(22)17-15-16(19)12-14-20-17/h12,14-15H,2-11,13H2,1H3,(H,21,22)
InChIKeyAQTADRPBOGMVGW-UHFFFAOYSA-N
XLogP5.49
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.35
LogP ≤ 55.49
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

4-chloro-N-hexylpyridine-2-carboxamide
CID 60656473
2-N-(2-methoxyethyl)-4-N-pentylpyridine-2,4-dicarboxamide
CID 109082372
4-(diethylamino)-N-pentylpyridine-2-carboxamide
CID 109216501
2-bromo-N-hexylpyridine-4-carboxamide
CID 103752172
4-N-[3-(dimethylamino)propyl]-2-N-pentylpyridine-2,4-dicarboxamide
CID 109083911
4-[butyl(methyl)amino]-N-pentylpyridine-2-carboxamide
CID 109217497
4-N-(3,5-dimethylphenyl)-2-N-pentylpyridine-2,4-dicarboxamide
CID 109089858
2-(butylcarbamoyl)pyridine-4-carboxylic acid
CID 122055000
4-(azepan-1-yl)-N-pentylpyridine-2-carboxamide
CID 109217503
3-bromo-N-dodecylbenzamide
CID 603918
2-N-butyl-4-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide
CID 109079379
N-pentyl-4-(prop-2-enylamino)pyridine-2-carboxamide
CID 109202346

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-dodecylpyridine-2-carboxamide?
The IUPAC name of 4-bromo-N-dodecylpyridine-2-carboxamide (CID 132587561) is 4-bromo-N-dodecylpyridine-2-carboxamide.
What is the SMILES notation for 4-bromo-N-dodecylpyridine-2-carboxamide?
The canonical SMILES for 4-bromo-N-dodecylpyridine-2-carboxamide is CCCCCCCCCCCCNC(=O)c1cc(Br)ccn1.
What is the InChIKey of 4-bromo-N-dodecylpyridine-2-carboxamide?
The InChIKey is AQTADRPBOGMVGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29BrN2O/c1-2-3-4-5-6-7-8-9-10-11-13-21-18(22)17-15-16(19)12-14-20-17/h12,14-15H,2-11,13H2,1H3,(H,21,22).
What are the key properties of 4-bromo-N-dodecylpyridine-2-carboxamide?
4-bromo-N-dodecylpyridine-2-carboxamide has a molecular weight of 369.35 g/mol, XLogP of 5.49, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-dodecylpyridine-2-carboxamide is sourced from PubChem (CID 132587561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).