3-bromo-N-methyl-N-pentan-3-ylpyridine-2-carboxamide

C12H17BrN2O — CID 107517936

IUPAC3-bromo-N-methyl-N-pentan-3-ylpyridine-2-carboxamide
SMILESCCC(CC)N(C)C(=O)c1ncccc1Br
InChIInChI=1S/C12H17BrN2O/c1-4-9(5-2)15(3)12(16)11-10(13)7-6-8-14-11/h6-9H,4-5H2,1-3H3
InChIKeyZDOCVPCZGBHFIB-UHFFFAOYSA-N
MW285.18 g/mol
LogP3.10
Rot. Bonds4

About 3-bromo-N-methyl-N-pentan-3-ylpyridine-2-carboxamide

3-bromo-N-methyl-N-pentan-3-ylpyridine-2-carboxamide (PubChem CID 107517936) has the molecular formula C12H17BrN2O and a molecular weight of 285.18 g/mol. Its IUPAC name is 3-bromo-N-methyl-N-pentan-3-ylpyridine-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-methyl-N-pentan-3-ylpyridine-2-carboxamide
PubChem CID107517936
Molecular FormulaC12H17BrN2O
Molecular Weight285.18 g/mol
Exact Mass284.05
IUPAC Name3-bromo-N-methyl-N-pentan-3-ylpyridine-2-carboxamide
SMILESCCC(CC)N(C)C(=O)c1ncccc1Br
InChIInChI=1S/C12H17BrN2O/c1-4-9(5-2)15(3)12(16)11-10(13)7-6-8-14-11/h6-9H,4-5H2,1-3H3
InChIKeyZDOCVPCZGBHFIB-UHFFFAOYSA-N
XLogP3.10
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.18
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-methyl-N-pentan-3-ylbenzamide
CID 43571450
3-bromo-N-methyl-N-[1-(4-methylphenyl)ethyl]pyridine-2-carboxamide
CID 107518504
3-bromo-N,N-bis(2-methylpropyl)pyridine-2-carboxamide
CID 107518180
3-bromo-N-propan-2-yl-N-propylpyridine-2-carboxamide
CID 107517877
3-bromo-N-[2-[butan-2-yl(methyl)amino]ethyl]pyridine-2-carboxamide
CID 114078807
3-bromo-N-[1-(2-methoxyphenyl)ethyl]-N-methylpyridine-2-carboxamide
CID 107518506
3-bromo-N-(2-bromoethyl)-N-ethylpyridine-2-carboxamide
CID 107526189
3-bromo-N-ethyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 107518835
methyl 3-[(3-bromopyridine-2-carbonyl)-methylamino]-2-methylpropanoate
CID 107518636
3-bromo-N-(3-hydroxypentyl)pyridine-2-carboxamide
CID 107519370
3-bromo-N-(cyclopentylmethyl)-N-methylpyridine-2-carboxamide
CID 107518990
3-bromo-N-(3-methoxypropyl)-N-methylpyridine-2-carboxamide
CID 107518946

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-methyl-N-pentan-3-ylpyridine-2-carboxamide?
The IUPAC name of 3-bromo-N-methyl-N-pentan-3-ylpyridine-2-carboxamide (CID 107517936) is 3-bromo-N-methyl-N-pentan-3-ylpyridine-2-carboxamide.
What is the SMILES notation for 3-bromo-N-methyl-N-pentan-3-ylpyridine-2-carboxamide?
The canonical SMILES for 3-bromo-N-methyl-N-pentan-3-ylpyridine-2-carboxamide is CCC(CC)N(C)C(=O)c1ncccc1Br.
What is the InChIKey of 3-bromo-N-methyl-N-pentan-3-ylpyridine-2-carboxamide?
The InChIKey is ZDOCVPCZGBHFIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O/c1-4-9(5-2)15(3)12(16)11-10(13)7-6-8-14-11/h6-9H,4-5H2,1-3H3.
What are the key properties of 3-bromo-N-methyl-N-pentan-3-ylpyridine-2-carboxamide?
3-bromo-N-methyl-N-pentan-3-ylpyridine-2-carboxamide has a molecular weight of 285.18 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-methyl-N-pentan-3-ylpyridine-2-carboxamide is sourced from PubChem (CID 107517936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).