5-bromo-1-methyl-3-[[5-[(2S)-2-methyl-4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]amino]pyridin-2-one

C19H24BrN5O2 — CID 86684347

IUPAC5-bromo-1-methyl-3-[[5-[(2S)-2-methyl-4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]amino]pyridin-2-one
SMILESC[C@H]1CN(C2COC2)CCN1c1ccc(Nc2cc(Br)cn(C)c2=O)nc1
InChIInChI=1S/C19H24BrN5O2/c1-13-9-24(16-11-27-12-16)5-6-25(13)15-3-4-18(21-8-15)22-17-7-14(20)10-23(2)19(17)26/h3-4,7-8,10,13,16H,5-6,9,11-12H2,1-2H3,(H,21,22)/t13-/m0/s1
InChIKeyVGRKPWHLVRPNAO-ZDUSSCGKSA-N
MW434.34 g/mol
LogP2.20
Rot. Bonds4

About 5-bromo-1-methyl-3-[[5-[(2S)-2-methyl-4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]amino]pyridin-2-one

5-bromo-1-methyl-3-[[5-[(2S)-2-methyl-4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]amino]pyridin-2-one (PubChem CID 86684347) has the molecular formula C19H24BrN5O2 and a molecular weight of 434.34 g/mol. Its IUPAC name is 5-bromo-1-methyl-3-[[5-[(2S)-2-methyl-4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]amino]pyridin-2-one.

Molecular Properties

Compound Name5-bromo-1-methyl-3-[[5-[(2S)-2-methyl-4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]amino]pyridin-2-one
PubChem CID86684347
Molecular FormulaC19H24BrN5O2
Molecular Weight434.34 g/mol
Exact Mass433.11
IUPAC Name5-bromo-1-methyl-3-[[5-[(2S)-2-methyl-4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]amino]pyridin-2-one
SMILESC[C@H]1CN(C2COC2)CCN1c1ccc(Nc2cc(Br)cn(C)c2=O)nc1
InChIInChI=1S/C19H24BrN5O2/c1-13-9-24(16-11-27-12-16)5-6-25(13)15-3-4-18(21-8-15)22-17-7-14(20)10-23(2)19(17)26/h3-4,7-8,10,13,16H,5-6,9,11-12H2,1-2H3,(H,21,22)/t13-/m0/s1
InChIKeyVGRKPWHLVRPNAO-ZDUSSCGKSA-N
XLogP2.20
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.34
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 4595252
2-{5-[Bis-(2-methoxy-ethyl)-amino]-pyridin-2-ylamino}-6-bromo-8-cyclopentyl-5-methyl-8H-pyrido[2,3-d]pyrimidin-7-one
CID 5330288
N-(5-bromopyridin-2-yl)-2-(2,6-dimethylmorpholin-4-yl)acetamide
CID 6467618
1-methyl-3-((5-((2S)-2-methyl-4-(oxetan-3-yl)piperazin-1-yl)pyridin-2-yl)amino)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one
CID 86683701
2-[(6-Morpholino-3-pyridyl)amino]acetohydrazide
CID 76320547
8-[[1-(2-methoxyethyl)piperidin-4-yl]amino]-3-methyl-1H-1,7-naphthyridin-2-one
CID 122180554
8-[[1-(3-methoxypropyl)piperidin-4-yl]amino]-3-methyl-1H-1,7-naphthyridin-2-one
CID 122180555
N-pyridin-3-yl-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 155568867
3-methoxy-N~1~-{1-methyl-2-oxo-2-[4-(2-pyridyl)piperazino]ethyl}propanamide
CID 53161543
[1-(5-Isocyano-2-pyridinyl)azetidin-3-yl] 4-propan-2-ylpiperazine-1-carboxylate
CID 122198061
US11591331, Example 101
CID 167845031
US11591331, Example 103
CID 167845033

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-methyl-3-[[5-[(2S)-2-methyl-4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]amino]pyridin-2-one?
The IUPAC name of 5-bromo-1-methyl-3-[[5-[(2S)-2-methyl-4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]amino]pyridin-2-one (CID 86684347) is 5-bromo-1-methyl-3-[[5-[(2S)-2-methyl-4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]amino]pyridin-2-one.
What is the SMILES notation for 5-bromo-1-methyl-3-[[5-[(2S)-2-methyl-4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]amino]pyridin-2-one?
The canonical SMILES for 5-bromo-1-methyl-3-[[5-[(2S)-2-methyl-4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]amino]pyridin-2-one is C[C@H]1CN(C2COC2)CCN1c1ccc(Nc2cc(Br)cn(C)c2=O)nc1.
What is the InChIKey of 5-bromo-1-methyl-3-[[5-[(2S)-2-methyl-4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]amino]pyridin-2-one?
The InChIKey is VGRKPWHLVRPNAO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H24BrN5O2/c1-13-9-24(16-11-27-12-16)5-6-25(13)15-3-4-18(21-8-15)22-17-7-14(20)10-23(2)19(17)26/h3-4,7-8,10,13,16H,5-6,9,11-12H2,1-2H3,(H,21,22)/t13-/m0/s1.
What are the key properties of 5-bromo-1-methyl-3-[[5-[(2S)-2-methyl-4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]amino]pyridin-2-one?
5-bromo-1-methyl-3-[[5-[(2S)-2-methyl-4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]amino]pyridin-2-one has a molecular weight of 434.34 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-methyl-3-[[5-[(2S)-2-methyl-4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]amino]pyridin-2-one is sourced from PubChem (CID 86684347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).