N-(5-bromo-1-methyl-2H-pyridin-3-yl)-5-[4-(oxetan-3-yl)piperazin-1-yl]pyridin-2-amine

C18H24BrN5O — CID 141373821

IUPACN-(5-bromo-1-methyl-2H-pyridin-3-yl)-5-[4-(oxetan-3-yl)piperazin-1-yl]pyridin-2-amine
SMILESCN1C=C(Br)C=C(Nc2ccc(N3CCN(C4COC4)CC3)cn2)C1
InChIInChI=1S/C18H24BrN5O/c1-22-10-14(19)8-15(11-22)21-18-3-2-16(9-20-18)23-4-6-24(7-5-23)17-12-25-13-17/h2-3,8-10,17H,4-7,11-13H2,1H3,(H,20,21)
InChIKeyLJSHORYMXQNNKW-UHFFFAOYSA-N
MW406.33 g/mol
LogP2.08
Rot. Bonds4

About N-(5-bromo-1-methyl-2H-pyridin-3-yl)-5-[4-(oxetan-3-yl)piperazin-1-yl]pyridin-2-amine

N-(5-bromo-1-methyl-2H-pyridin-3-yl)-5-[4-(oxetan-3-yl)piperazin-1-yl]pyridin-2-amine (PubChem CID 141373821) has the molecular formula C18H24BrN5O and a molecular weight of 406.33 g/mol. Its IUPAC name is N-(5-bromo-1-methyl-2H-pyridin-3-yl)-5-[4-(oxetan-3-yl)piperazin-1-yl]pyridin-2-amine.

Molecular Properties

Compound NameN-(5-bromo-1-methyl-2H-pyridin-3-yl)-5-[4-(oxetan-3-yl)piperazin-1-yl]pyridin-2-amine
PubChem CID141373821
Molecular FormulaC18H24BrN5O
Molecular Weight406.33 g/mol
Exact Mass405.12
IUPAC NameN-(5-bromo-1-methyl-2H-pyridin-3-yl)-5-[4-(oxetan-3-yl)piperazin-1-yl]pyridin-2-amine
SMILESCN1C=C(Br)C=C(Nc2ccc(N3CCN(C4COC4)CC3)cn2)C1
InChIInChI=1S/C18H24BrN5O/c1-22-10-14(19)8-15(11-22)21-18-3-2-16(9-20-18)23-4-6-24(7-5-23)17-12-25-13-17/h2-3,8-10,17H,4-7,11-13H2,1H3,(H,20,21)
InChIKeyLJSHORYMXQNNKW-UHFFFAOYSA-N
XLogP2.08
TPSA43.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.33
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-bromo-1-methyl-2H-pyridin-3-yl)-5-[(2S)-2-methylpiperazin-1-yl]pyridin-2-amine
CID 170693340
5-bromo-1-methyl-3-[[5-[(2S)-2-methyl-4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]amino]-2H-pyridin-2-ol
CID 129063563
acetylene;ethane;5-[4-(oxetan-3-yl)piperazin-1-yl]pyridin-2-amine
CID 145054361
5-bromo-1,6-dimethyl-3-[[5-[(2S)-2-methyl-4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]amino]pyridin-2-one
CID 164749391
acetylene;1-[(2E)-3-methyl-4-(methylamino)penta-2,4-dien-2-yl]-3-[[5-[4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]amino]pyrazole-4-carboxamide
CID 145054329
5-[5-(butylamino)-4-(hydroxymethyl)-3-pyridinyl]-1-methyl-3-[[5-[4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]amino]pyridin-2-one
CID 153182356
6-chloro-N-[5-[4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]-1-(2-trimethylsilylethoxymethyl)benzimidazol-4-amine
CID 86684149
5-bromo-1-methyl-3-[[5-[(2S)-2-methyl-4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]amino]pyridin-2-one;sulfane
CID 165088577
acetylene;1-[1-[(Z)-2-(aminomethyl)-3-hydroxyprop-1-enyl]-3-[[5-[4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]amino]pyrazol-4-yl]ethanone;ethane
CID 145054357
4-(4-methoxy-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)-N-[5-[4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]pyrimidin-2-amine
CID 155281980
1,5-dimethyl-3-[[5-[(2S)-2-methyl-4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]amino]pyridin-2-one
CID 157183243
5-fluoro-4-(9-fluoro-4-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-7-yl)-N-[5-[4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]pyrimidin-2-amine
CID 135181515

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-1-methyl-2H-pyridin-3-yl)-5-[4-(oxetan-3-yl)piperazin-1-yl]pyridin-2-amine?
The IUPAC name of N-(5-bromo-1-methyl-2H-pyridin-3-yl)-5-[4-(oxetan-3-yl)piperazin-1-yl]pyridin-2-amine (CID 141373821) is N-(5-bromo-1-methyl-2H-pyridin-3-yl)-5-[4-(oxetan-3-yl)piperazin-1-yl]pyridin-2-amine.
What is the SMILES notation for N-(5-bromo-1-methyl-2H-pyridin-3-yl)-5-[4-(oxetan-3-yl)piperazin-1-yl]pyridin-2-amine?
The canonical SMILES for N-(5-bromo-1-methyl-2H-pyridin-3-yl)-5-[4-(oxetan-3-yl)piperazin-1-yl]pyridin-2-amine is CN1C=C(Br)C=C(Nc2ccc(N3CCN(C4COC4)CC3)cn2)C1.
What is the InChIKey of N-(5-bromo-1-methyl-2H-pyridin-3-yl)-5-[4-(oxetan-3-yl)piperazin-1-yl]pyridin-2-amine?
The InChIKey is LJSHORYMXQNNKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24BrN5O/c1-22-10-14(19)8-15(11-22)21-18-3-2-16(9-20-18)23-4-6-24(7-5-23)17-12-25-13-17/h2-3,8-10,17H,4-7,11-13H2,1H3,(H,20,21).
What are the key properties of N-(5-bromo-1-methyl-2H-pyridin-3-yl)-5-[4-(oxetan-3-yl)piperazin-1-yl]pyridin-2-amine?
N-(5-bromo-1-methyl-2H-pyridin-3-yl)-5-[4-(oxetan-3-yl)piperazin-1-yl]pyridin-2-amine has a molecular weight of 406.33 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-1-methyl-2H-pyridin-3-yl)-5-[4-(oxetan-3-yl)piperazin-1-yl]pyridin-2-amine is sourced from PubChem (CID 141373821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).