3-bromo-N-hexan-3-ylpyridine-2-carboxamide

C12H17BrN2O — CID 107518890

IUPAC3-bromo-N-hexan-3-ylpyridine-2-carboxamide
SMILESCCCC(CC)NC(=O)c1ncccc1Br
InChIInChI=1S/C12H17BrN2O/c1-3-6-9(4-2)15-12(16)11-10(13)7-5-8-14-11/h5,7-9H,3-4,6H2,1-2H3,(H,15,16)
InChIKeyKXDBZRPOHVXKHQ-UHFFFAOYSA-N
MW285.18 g/mol
LogP3.15
Rot. Bonds5

About 3-bromo-N-hexan-3-ylpyridine-2-carboxamide

3-bromo-N-hexan-3-ylpyridine-2-carboxamide (PubChem CID 107518890) has the molecular formula C12H17BrN2O and a molecular weight of 285.18 g/mol. Its IUPAC name is 3-bromo-N-hexan-3-ylpyridine-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-hexan-3-ylpyridine-2-carboxamide
PubChem CID107518890
Molecular FormulaC12H17BrN2O
Molecular Weight285.18 g/mol
Exact Mass284.05
IUPAC Name3-bromo-N-hexan-3-ylpyridine-2-carboxamide
SMILESCCCC(CC)NC(=O)c1ncccc1Br
InChIInChI=1S/C12H17BrN2O/c1-3-6-9(4-2)15-12(16)11-10(13)7-5-8-14-11/h5,7-9H,3-4,6H2,1-2H3,(H,15,16)
InChIKeyKXDBZRPOHVXKHQ-UHFFFAOYSA-N
XLogP3.15
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.18
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-[(2S)-1-hydroxypropan-2-yl]pyridine-2-carboxamide
CID 107519692
3-bromo-N-[(2R)-1-hydroxypropan-2-yl]pyridine-2-carboxamide
CID 107519719
3-hydroxy-N-(1-hydroxybutan-2-yl)pyridine-2-carboxamide
CID 60923596
3-bromo-N-(3-hydroxypentyl)pyridine-2-carboxamide
CID 107519370
3-bromo-N-(5-bromopentan-2-yl)pyridine-2-carboxamide
CID 107526265
3-bromo-N-[2-(2-hydroxyethyl)pentyl]pyridine-2-carboxamide
CID 114078844
3-bromo-N-(1-bromo-3-methylbutan-2-yl)pyridine-2-carboxamide
CID 107526264
3-bromo-N-pentylpyridine-2-carboxamide
CID 107517688
3-bromo-N-[1-(dimethylamino)propan-2-yl]pyridine-2-carboxamide
CID 107519243
3-bromo-N-(1-chloro-3-methylbutan-2-yl)pyridine-2-carboxamide
CID 107526234
N-[(2S)-1-hydroxybutan-2-yl]-3-methylpyridine-2-carboxamide
CID 104981219
(2S)-2-[(3-bromopyridine-2-carbonyl)amino]-3-hydroxypropanoic acid
CID 107517042

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-hexan-3-ylpyridine-2-carboxamide?
The IUPAC name of 3-bromo-N-hexan-3-ylpyridine-2-carboxamide (CID 107518890) is 3-bromo-N-hexan-3-ylpyridine-2-carboxamide.
What is the SMILES notation for 3-bromo-N-hexan-3-ylpyridine-2-carboxamide?
The canonical SMILES for 3-bromo-N-hexan-3-ylpyridine-2-carboxamide is CCCC(CC)NC(=O)c1ncccc1Br.
What is the InChIKey of 3-bromo-N-hexan-3-ylpyridine-2-carboxamide?
The InChIKey is KXDBZRPOHVXKHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O/c1-3-6-9(4-2)15-12(16)11-10(13)7-5-8-14-11/h5,7-9H,3-4,6H2,1-2H3,(H,15,16).
What are the key properties of 3-bromo-N-hexan-3-ylpyridine-2-carboxamide?
3-bromo-N-hexan-3-ylpyridine-2-carboxamide has a molecular weight of 285.18 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-hexan-3-ylpyridine-2-carboxamide is sourced from PubChem (CID 107518890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).