N-(2-aminoethyl)-1-(3-bromo-5-methyl-2-pyridinyl)piperidine-3-carboxamide

C14H21BrN4O — CID 105367314

IUPACN-(2-aminoethyl)-1-(3-bromo-5-methyl-2-pyridinyl)piperidine-3-carboxamide
SMILESCc1cnc(N2CCCC(C(=O)NCCN)C2)c(Br)c1
InChIInChI=1S/C14H21BrN4O/c1-10-7-12(15)13(18-8-10)19-6-2-3-11(9-19)14(20)17-5-4-16/h7-8,11H,2-6,9,16H2,1H3,(H,17,20)
InChIKeyGBZYZKSTVANAEX-UHFFFAOYSA-N
MW341.25 g/mol
LogP1.44
Rot. Bonds4

About N-(2-aminoethyl)-1-(3-bromo-5-methyl-2-pyridinyl)piperidine-3-carboxamide

N-(2-aminoethyl)-1-(3-bromo-5-methyl-2-pyridinyl)piperidine-3-carboxamide (PubChem CID 105367314) has the molecular formula C14H21BrN4O and a molecular weight of 341.25 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-(3-bromo-5-methyl-2-pyridinyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-(3-bromo-5-methyl-2-pyridinyl)piperidine-3-carboxamide
PubChem CID105367314
Molecular FormulaC14H21BrN4O
Molecular Weight341.25 g/mol
Exact Mass340.09
IUPAC NameN-(2-aminoethyl)-1-(3-bromo-5-methyl-2-pyridinyl)piperidine-3-carboxamide
SMILESCc1cnc(N2CCCC(C(=O)NCCN)C2)c(Br)c1
InChIInChI=1S/C14H21BrN4O/c1-10-7-12(15)13(18-8-10)19-6-2-3-11(9-19)14(20)17-5-4-16/h7-8,11H,2-6,9,16H2,1H3,(H,17,20)
InChIKeyGBZYZKSTVANAEX-UHFFFAOYSA-N
XLogP1.44
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-1-(5-chloro-3-fluoro-2-pyridinyl)piperidine-3-carboxamide
CID 79727350
N-(2-aminoethyl)-1-(3-cyano-6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 63253194
N-(2-aminoethyl)-1-(6-methoxy-2-methylpyrimidin-4-yl)piperidine-3-carboxamide
CID 66333680
2-[1-(3-bromo-5-methyl-2-pyridinyl)piperidin-4-yl]ethanamine
CID 105367346
1-(3-amino-5-bromo-2-pyridinyl)-N-methylpiperidine-3-carboxamide
CID 103194325
N-(2-aminoethyl)-1-(4-ethyl-1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 63253107
1-(3-bromo-5-methyl-2-pyridinyl)-4-propylazepane
CID 105367961
N-(2-aminoethyl)-1-[(4,5-dibromofuran-2-yl)methyl]piperidine-3-carboxamide
CID 63252329
N-(2-aminoethyl)-1-(4-chloro-1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 83156646
N-(2-aminoethyl)-1-(6-pyrrolidin-1-ylpyridine-3-carbonyl)piperidine-3-carboxamide
CID 119479939
N-(2-aminoethyl)-1-(2-methyl-1,3-thiazole-5-carbonyl)piperidine-3-carboxamide;hydrochloride
CID 119482370
3-bromo-2-(3-bromopyrrolidin-1-yl)-5-methylpyridine
CID 105368742

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-(3-bromo-5-methyl-2-pyridinyl)piperidine-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-1-(3-bromo-5-methyl-2-pyridinyl)piperidine-3-carboxamide (CID 105367314) is N-(2-aminoethyl)-1-(3-bromo-5-methyl-2-pyridinyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-1-(3-bromo-5-methyl-2-pyridinyl)piperidine-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-1-(3-bromo-5-methyl-2-pyridinyl)piperidine-3-carboxamide is Cc1cnc(N2CCCC(C(=O)NCCN)C2)c(Br)c1.
What is the InChIKey of N-(2-aminoethyl)-1-(3-bromo-5-methyl-2-pyridinyl)piperidine-3-carboxamide?
The InChIKey is GBZYZKSTVANAEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN4O/c1-10-7-12(15)13(18-8-10)19-6-2-3-11(9-19)14(20)17-5-4-16/h7-8,11H,2-6,9,16H2,1H3,(H,17,20).
What are the key properties of N-(2-aminoethyl)-1-(3-bromo-5-methyl-2-pyridinyl)piperidine-3-carboxamide?
N-(2-aminoethyl)-1-(3-bromo-5-methyl-2-pyridinyl)piperidine-3-carboxamide has a molecular weight of 341.25 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-(3-bromo-5-methyl-2-pyridinyl)piperidine-3-carboxamide is sourced from PubChem (CID 105367314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).