5-bromo-N-[(3-methylpiperidin-3-yl)methyl]pyridine-3-carboxamide

C13H18BrN3O — CID 113400479

IUPAC5-bromo-N-[(3-methylpiperidin-3-yl)methyl]pyridine-3-carboxamide
SMILESCC1(CNC(=O)c2cncc(Br)c2)CCCNC1
InChIInChI=1S/C13H18BrN3O/c1-13(3-2-4-15-8-13)9-17-12(18)10-5-11(14)7-16-6-10/h5-7,15H,2-4,8-9H2,1H3,(H,17,18)
InChIKeyDYZKWORSVBMTII-UHFFFAOYSA-N
MW312.21 g/mol
LogP1.96
Rot. Bonds3

About 5-bromo-N-[(3-methylpiperidin-3-yl)methyl]pyridine-3-carboxamide

5-bromo-N-[(3-methylpiperidin-3-yl)methyl]pyridine-3-carboxamide (PubChem CID 113400479) has the molecular formula C13H18BrN3O and a molecular weight of 312.21 g/mol. Its IUPAC name is 5-bromo-N-[(3-methylpiperidin-3-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(3-methylpiperidin-3-yl)methyl]pyridine-3-carboxamide
PubChem CID113400479
Molecular FormulaC13H18BrN3O
Molecular Weight312.21 g/mol
Exact Mass311.06
IUPAC Name5-bromo-N-[(3-methylpiperidin-3-yl)methyl]pyridine-3-carboxamide
SMILESCC1(CNC(=O)c2cncc(Br)c2)CCCNC1
InChIInChI=1S/C13H18BrN3O/c1-13(3-2-4-15-8-13)9-17-12(18)10-5-11(14)7-16-6-10/h5-7,15H,2-4,8-9H2,1H3,(H,17,18)
InChIKeyDYZKWORSVBMTII-UHFFFAOYSA-N
XLogP1.96
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[(4-methyloxan-4-yl)methyl]pyridine-3-carboxamide
CID 113252985
5-bromo-N-[(3-methylpiperidin-3-yl)methyl]thiophene-3-carboxamide
CID 113412084
N-[(3-methylpiperidin-3-yl)methyl]pyridazine-4-carboxamide
CID 104671755
2-[1-[[(5-bromopyridine-3-carbonyl)amino]methyl]cyclobutyl]acetic acid
CID 81163589
5-bromo-N-[(1-methoxycyclobutyl)methyl]pyridine-3-carboxamide
CID 103991115
5-bromo-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]pyridine-3-carboxamide
CID 55746088
5-chloro-N-[(3-methylpiperidin-3-yl)methyl]pyridine-2-carboxamide
CID 113400496
3-methyl-N-[(3-methylpiperidin-3-yl)methyl]-1,2-oxazole-5-carboxamide
CID 113400462
1-(5-bromo-3-pyridinyl)-2-(1-methylcyclobutyl)ethanone
CID 130601241
5-ethyl-N-[(3-methylpiperidin-3-yl)methyl]furan-2-carboxamide
CID 113400454
2,3-dihydroxy-N-[(3-methylpiperidin-3-yl)methyl]benzamide
CID 114345124
2-fluoro-4-hydroxy-N-[(3-methylpiperidin-3-yl)methyl]benzamide
CID 107677215

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(3-methylpiperidin-3-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-[(3-methylpiperidin-3-yl)methyl]pyridine-3-carboxamide (CID 113400479) is 5-bromo-N-[(3-methylpiperidin-3-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[(3-methylpiperidin-3-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-[(3-methylpiperidin-3-yl)methyl]pyridine-3-carboxamide is CC1(CNC(=O)c2cncc(Br)c2)CCCNC1.
What is the InChIKey of 5-bromo-N-[(3-methylpiperidin-3-yl)methyl]pyridine-3-carboxamide?
The InChIKey is DYZKWORSVBMTII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN3O/c1-13(3-2-4-15-8-13)9-17-12(18)10-5-11(14)7-16-6-10/h5-7,15H,2-4,8-9H2,1H3,(H,17,18).
What are the key properties of 5-bromo-N-[(3-methylpiperidin-3-yl)methyl]pyridine-3-carboxamide?
5-bromo-N-[(3-methylpiperidin-3-yl)methyl]pyridine-3-carboxamide has a molecular weight of 312.21 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(3-methylpiperidin-3-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 113400479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).