N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-5-bromopyridine-3-carboxamide

C13H17BrN4O2 — CID 53498700

IUPACN-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-5-bromopyridine-3-carboxamide
SMILESNC(=O)CN1CCC(NC(=O)c2cncc(Br)c2)CC1
InChIInChI=1S/C13H17BrN4O2/c14-10-5-9(6-16-7-10)13(20)17-11-1-3-18(4-2-11)8-12(15)19/h5-7,11H,1-4,8H2,(H2,15,19)(H,17,20)
InChIKeyFUGMAGUGVCOPIT-UHFFFAOYSA-N
MW341.21 g/mol
LogP0.52
Rot. Bonds4

About N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-5-bromopyridine-3-carboxamide

N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-5-bromopyridine-3-carboxamide (PubChem CID 53498700) has the molecular formula C13H17BrN4O2 and a molecular weight of 341.21 g/mol. Its IUPAC name is N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-5-bromopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-5-bromopyridine-3-carboxamide
PubChem CID53498700
Molecular FormulaC13H17BrN4O2
Molecular Weight341.21 g/mol
Exact Mass340.05
IUPAC NameN-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-5-bromopyridine-3-carboxamide
SMILESNC(=O)CN1CCC(NC(=O)c2cncc(Br)c2)CC1
InChIInChI=1S/C13H17BrN4O2/c14-10-5-9(6-16-7-10)13(20)17-11-1-3-18(4-2-11)8-12(15)19/h5-7,11H,1-4,8H2,(H2,15,19)(H,17,20)
InChIKeyFUGMAGUGVCOPIT-UHFFFAOYSA-N
XLogP0.52
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.21
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide
CID 8590020
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-chlorobenzamide
CID 18133860
3-amino-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]benzamide
CID 43711659
N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-3-bromobenzamide
CID 63626811
2-[4-(5-bromopyridine-3-carbonyl)piperazin-1-yl]-N-cyclopropylacetamide
CID 51206875
3,5-dibromo-N-(1-ethylpiperidin-4-yl)benzamide
CID 103907480
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-cyanobenzamide
CID 24674040
5-amino-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-methylpyridine-3-carboxamide
CID 61139255
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(chloromethyl)benzamide
CID 43700629
N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]pyridine-3-carboxamide
CID 55247301
5-bromo-N-(2,3-dihydro-1H-inden-2-yl)pyridine-3-carboxamide
CID 2823446
5-bromo-N-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide
CID 95985160

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-5-bromopyridine-3-carboxamide?
The IUPAC name of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-5-bromopyridine-3-carboxamide (CID 53498700) is N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-5-bromopyridine-3-carboxamide.
What is the SMILES notation for N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-5-bromopyridine-3-carboxamide?
The canonical SMILES for N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-5-bromopyridine-3-carboxamide is NC(=O)CN1CCC(NC(=O)c2cncc(Br)c2)CC1.
What is the InChIKey of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-5-bromopyridine-3-carboxamide?
The InChIKey is FUGMAGUGVCOPIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN4O2/c14-10-5-9(6-16-7-10)13(20)17-11-1-3-18(4-2-11)8-12(15)19/h5-7,11H,1-4,8H2,(H2,15,19)(H,17,20).
What are the key properties of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-5-bromopyridine-3-carboxamide?
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-5-bromopyridine-3-carboxamide has a molecular weight of 341.21 g/mol, XLogP of 0.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-5-bromopyridine-3-carboxamide is sourced from PubChem (CID 53498700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).