N-(5-bromo-1-methyl-2H-pyridin-3-yl)-5-[(2S)-2-methylpiperazin-1-yl]pyridin-2-amine

C16H22BrN5 — CID 170693340

IUPACN-(5-bromo-1-methyl-2H-pyridin-3-yl)-5-[(2S)-2-methylpiperazin-1-yl]pyridin-2-amine
SMILESC[C@H]1CNCCN1c1ccc(NC2=CC(Br)=CN(C)C2)nc1
InChIInChI=1S/C16H22BrN5/c1-12-8-18-5-6-22(12)15-3-4-16(19-9-15)20-14-7-13(17)10-21(2)11-14/h3-4,7,9-10,12,18H,5-6,8,11H2,1-2H3,(H,19,20)/t12-/m0/s1
InChIKeyGYFUYKCZUOHTHP-LBPRGKRZSA-N
MW364.29 g/mol
LogP2.36
Rot. Bonds3

About N-(5-bromo-1-methyl-2H-pyridin-3-yl)-5-[(2S)-2-methylpiperazin-1-yl]pyridin-2-amine

N-(5-bromo-1-methyl-2H-pyridin-3-yl)-5-[(2S)-2-methylpiperazin-1-yl]pyridin-2-amine (PubChem CID 170693340) has the molecular formula C16H22BrN5 and a molecular weight of 364.29 g/mol. Its IUPAC name is N-(5-bromo-1-methyl-2H-pyridin-3-yl)-5-[(2S)-2-methylpiperazin-1-yl]pyridin-2-amine.

Molecular Properties

Compound NameN-(5-bromo-1-methyl-2H-pyridin-3-yl)-5-[(2S)-2-methylpiperazin-1-yl]pyridin-2-amine
PubChem CID170693340
Molecular FormulaC16H22BrN5
Molecular Weight364.29 g/mol
Exact Mass363.11
IUPAC NameN-(5-bromo-1-methyl-2H-pyridin-3-yl)-5-[(2S)-2-methylpiperazin-1-yl]pyridin-2-amine
SMILESC[C@H]1CNCCN1c1ccc(NC2=CC(Br)=CN(C)C2)nc1
InChIInChI=1S/C16H22BrN5/c1-12-8-18-5-6-22(12)15-3-4-16(19-9-15)20-14-7-13(17)10-21(2)11-14/h3-4,7,9-10,12,18H,5-6,8,11H2,1-2H3,(H,19,20)/t12-/m0/s1
InChIKeyGYFUYKCZUOHTHP-LBPRGKRZSA-N
XLogP2.36
TPSA43.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.29
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(5-bromo-1-methyl-2H-pyridin-3-yl)-5-[(2S)-2-methylpiperazin-1-yl]pyridin-2-amine with MolForge

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Related Compounds

5-bromo-1-methyl-3-[[5-[(2S)-2-methylpiperazin-1-yl]-2-pyridinyl]amino]-2H-pyridin-2-ol
CID 129021746
N-(5-bromo-1-methyl-2H-pyridin-3-yl)-5-[4-(oxetan-3-yl)piperazin-1-yl]pyridin-2-amine
CID 141373821
(1R)-1-[2-[[5-[(2S)-2-methylpiperazin-1-yl]-2-pyridinyl]amino]-8-(propan-2-ylamino)pyrido[3,4-d]pyrimidin-6-yl]ethanol
CID 134586414
N-methyl-5-[(2R)-2-methylpiperazin-1-yl]pyridine-2-carboxamide
CID 166021939
(2S)-1-(4-bromo-3-methoxyphenyl)-2-methylpiperazine
CID 142683631
(2R)-2-methyl-1-(6-nitro-3-pyridinyl)piperazine
CID 94546157
N-methyl-5-[(2R)-2-methylpiperazin-1-yl]pyridine-2-carboxamide;hydrochloride
CID 170561549
1-(4-bromo-3-chlorophenyl)-2-methylpiperazine
CID 107617353
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
(2S)-2-methyl-1-pyridin-4-ylpiperazine
CID 94546152
1-[4-bromo-3-(trifluoromethyl)phenyl]-2-methylpiperazine
CID 64931337
1-(3-chloro-4-methylphenyl)-2-methylpiperazine
CID 64939185

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-1-methyl-2H-pyridin-3-yl)-5-[(2S)-2-methylpiperazin-1-yl]pyridin-2-amine?
The IUPAC name of N-(5-bromo-1-methyl-2H-pyridin-3-yl)-5-[(2S)-2-methylpiperazin-1-yl]pyridin-2-amine (CID 170693340) is N-(5-bromo-1-methyl-2H-pyridin-3-yl)-5-[(2S)-2-methylpiperazin-1-yl]pyridin-2-amine.
What is the SMILES notation for N-(5-bromo-1-methyl-2H-pyridin-3-yl)-5-[(2S)-2-methylpiperazin-1-yl]pyridin-2-amine?
The canonical SMILES for N-(5-bromo-1-methyl-2H-pyridin-3-yl)-5-[(2S)-2-methylpiperazin-1-yl]pyridin-2-amine is C[C@H]1CNCCN1c1ccc(NC2=CC(Br)=CN(C)C2)nc1.
What is the InChIKey of N-(5-bromo-1-methyl-2H-pyridin-3-yl)-5-[(2S)-2-methylpiperazin-1-yl]pyridin-2-amine?
The InChIKey is GYFUYKCZUOHTHP-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H22BrN5/c1-12-8-18-5-6-22(12)15-3-4-16(19-9-15)20-14-7-13(17)10-21(2)11-14/h3-4,7,9-10,12,18H,5-6,8,11H2,1-2H3,(H,19,20)/t12-/m0/s1.
What are the key properties of N-(5-bromo-1-methyl-2H-pyridin-3-yl)-5-[(2S)-2-methylpiperazin-1-yl]pyridin-2-amine?
N-(5-bromo-1-methyl-2H-pyridin-3-yl)-5-[(2S)-2-methylpiperazin-1-yl]pyridin-2-amine has a molecular weight of 364.29 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-1-methyl-2H-pyridin-3-yl)-5-[(2S)-2-methylpiperazin-1-yl]pyridin-2-amine is sourced from PubChem (CID 170693340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).