3-bromo-N-[2-(diethylamino)ethyl]pyridine-2-carboxamide

C12H18BrN3O — CID 107517764

IUPAC3-bromo-N-[2-(diethylamino)ethyl]pyridine-2-carboxamide
SMILESCCN(CC)CCNC(=O)c1ncccc1Br
InChIInChI=1S/C12H18BrN3O/c1-3-16(4-2)9-8-15-12(17)11-10(13)6-5-7-14-11/h5-7H,3-4,8-9H2,1-2H3,(H,15,17)
InChIKeyMTGMVEPLJDZTJS-UHFFFAOYSA-N
MW300.20 g/mol
LogP1.92
Rot. Bonds6

About 3-bromo-N-[2-(diethylamino)ethyl]pyridine-2-carboxamide

3-bromo-N-[2-(diethylamino)ethyl]pyridine-2-carboxamide (PubChem CID 107517764) has the molecular formula C12H18BrN3O and a molecular weight of 300.20 g/mol. Its IUPAC name is 3-bromo-N-[2-(diethylamino)ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-[2-(diethylamino)ethyl]pyridine-2-carboxamide
PubChem CID107517764
Molecular FormulaC12H18BrN3O
Molecular Weight300.20 g/mol
Exact Mass299.06
IUPAC Name3-bromo-N-[2-(diethylamino)ethyl]pyridine-2-carboxamide
SMILESCCN(CC)CCNC(=O)c1ncccc1Br
InChIInChI=1S/C12H18BrN3O/c1-3-16(4-2)9-8-15-12(17)11-10(13)6-5-7-14-11/h5-7H,3-4,8-9H2,1-2H3,(H,15,17)
InChIKeyMTGMVEPLJDZTJS-UHFFFAOYSA-N
XLogP1.92
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[2-(diethylamino)ethyl]pyridine-2-carboxamide
CID 104740794
3-bromo-N-[2-[butan-2-yl(methyl)amino]ethyl]pyridine-2-carboxamide
CID 114078807
3-bromo-N-pentylpyridine-2-carboxamide
CID 107517688
3-bromo-N-(2-bromoethyl)-N-ethylpyridine-2-carboxamide
CID 107526189
3-bromo-N-(2-oxopropyl)pyridine-2-carboxamide
CID 107517564
3-bromo-N-(3-hydroxypentyl)pyridine-2-carboxamide
CID 107519370
3-bromo-N-(4-iodobutyl)pyridine-2-carboxamide
CID 107526349
N-[2-(diethylamino)ethyl]-2-methoxypyridine-3-carboxamide
CID 15462606
3-bromo-N-[2-(2-methylprop-2-enoxy)ethyl]pyridine-2-carboxamide
CID 107519429
3-bromo-N-(6-hydroxyhexyl)pyridine-2-carboxamide
CID 107843919
3-bromo-N-(5-methylhexyl)pyridine-2-carboxamide
CID 107519204
2-[2-[(3-bromopyridine-2-carbonyl)amino]ethoxy]acetic acid
CID 107517184

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-(diethylamino)ethyl]pyridine-2-carboxamide?
The IUPAC name of 3-bromo-N-[2-(diethylamino)ethyl]pyridine-2-carboxamide (CID 107517764) is 3-bromo-N-[2-(diethylamino)ethyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-bromo-N-[2-(diethylamino)ethyl]pyridine-2-carboxamide?
The canonical SMILES for 3-bromo-N-[2-(diethylamino)ethyl]pyridine-2-carboxamide is CCN(CC)CCNC(=O)c1ncccc1Br.
What is the InChIKey of 3-bromo-N-[2-(diethylamino)ethyl]pyridine-2-carboxamide?
The InChIKey is MTGMVEPLJDZTJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3O/c1-3-16(4-2)9-8-15-12(17)11-10(13)6-5-7-14-11/h5-7H,3-4,8-9H2,1-2H3,(H,15,17).
What are the key properties of 3-bromo-N-[2-(diethylamino)ethyl]pyridine-2-carboxamide?
3-bromo-N-[2-(diethylamino)ethyl]pyridine-2-carboxamide has a molecular weight of 300.20 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[2-(diethylamino)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 107517764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).