3-bromo-N-[2-(1-methylpiperidin-4-yl)ethyl]pyridine-2-carboxamide

C14H20BrN3O — CID 107519431

IUPAC3-bromo-N-[2-(1-methylpiperidin-4-yl)ethyl]pyridine-2-carboxamide
SMILESCN1CCC(CCNC(=O)c2ncccc2Br)CC1
InChIInChI=1S/C14H20BrN3O/c1-18-9-5-11(6-10-18)4-8-17-14(19)13-12(15)3-2-7-16-13/h2-3,7,11H,4-6,8-10H2,1H3,(H,17,19)
InChIKeyDMGOQKZRQDUIOW-UHFFFAOYSA-N
MW326.24 g/mol
LogP2.31
Rot. Bonds4

About 3-bromo-N-[2-(1-methylpiperidin-4-yl)ethyl]pyridine-2-carboxamide

3-bromo-N-[2-(1-methylpiperidin-4-yl)ethyl]pyridine-2-carboxamide (PubChem CID 107519431) has the molecular formula C14H20BrN3O and a molecular weight of 326.24 g/mol. Its IUPAC name is 3-bromo-N-[2-(1-methylpiperidin-4-yl)ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-[2-(1-methylpiperidin-4-yl)ethyl]pyridine-2-carboxamide
PubChem CID107519431
Molecular FormulaC14H20BrN3O
Molecular Weight326.24 g/mol
Exact Mass325.08
IUPAC Name3-bromo-N-[2-(1-methylpiperidin-4-yl)ethyl]pyridine-2-carboxamide
SMILESCN1CCC(CCNC(=O)c2ncccc2Br)CC1
InChIInChI=1S/C14H20BrN3O/c1-18-9-5-11(6-10-18)4-8-17-14(19)13-12(15)3-2-7-16-13/h2-3,7,11H,4-6,8-10H2,1H3,(H,17,19)
InChIKeyDMGOQKZRQDUIOW-UHFFFAOYSA-N
XLogP2.31
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.24
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-6-fluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide
CID 115678882
3-bromo-N-[3-(4-methylpiperidin-1-yl)propyl]pyridine-2-carboxamide
CID 107518109
3-bromo-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pyridine-2-carboxamide
CID 107518771
N-(2-cyclohexylethyl)-3-hydroxypyridine-2-carboxamide
CID 54861320
N-[2-(1-methylpiperidin-4-yl)ethyl]pyrazine-2-carboxamide
CID 141475460
2-fluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]pyridine-4-carboxamide
CID 115601906
3-hydroxy-N-(1-methylpyrrolidin-3-yl)pyridine-2-carboxamide
CID 61465245
6-[2-(1-methylpiperidin-4-yl)ethylcarbamoyl]pyridine-3-carboxylic acid
CID 114516523
2-bromo-N-[(1-methylpiperidin-4-yl)methyl]pyridine-3-carboxamide
CID 113255665
N-[2-(1-methylpiperidin-4-yl)ethyl]-2-phenylacetamide
CID 50875243
3-bromo-N-pentylpyridine-2-carboxamide
CID 107517688
2-amino-3-fluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]pyridine-4-carboxamide
CID 105387682

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-(1-methylpiperidin-4-yl)ethyl]pyridine-2-carboxamide?
The IUPAC name of 3-bromo-N-[2-(1-methylpiperidin-4-yl)ethyl]pyridine-2-carboxamide (CID 107519431) is 3-bromo-N-[2-(1-methylpiperidin-4-yl)ethyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-bromo-N-[2-(1-methylpiperidin-4-yl)ethyl]pyridine-2-carboxamide?
The canonical SMILES for 3-bromo-N-[2-(1-methylpiperidin-4-yl)ethyl]pyridine-2-carboxamide is CN1CCC(CCNC(=O)c2ncccc2Br)CC1.
What is the InChIKey of 3-bromo-N-[2-(1-methylpiperidin-4-yl)ethyl]pyridine-2-carboxamide?
The InChIKey is DMGOQKZRQDUIOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O/c1-18-9-5-11(6-10-18)4-8-17-14(19)13-12(15)3-2-7-16-13/h2-3,7,11H,4-6,8-10H2,1H3,(H,17,19).
What are the key properties of 3-bromo-N-[2-(1-methylpiperidin-4-yl)ethyl]pyridine-2-carboxamide?
3-bromo-N-[2-(1-methylpiperidin-4-yl)ethyl]pyridine-2-carboxamide has a molecular weight of 326.24 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[2-(1-methylpiperidin-4-yl)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 107519431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).