N-[3-[(1R)-1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide

C26H30ClN5O2 — CID 139506738

About N-[3-[(1R)-1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide

N-[3-[(1R)-1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide (PubChem CID 139506738) has the molecular formula C26H30ClN5O2 and a molecular weight of 480.01 g/mol. Its IUPAC name is N-[3-[(1R)-1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide.

Molecular Properties

• Compound Name: N-[3-[(1R)-1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide
• PubChem CID: 139506738
• Molecular Formula: C26H30ClN5O2
• Molecular Weight: 480.01 g/mol
• Exact Mass: 479.21
• IUPAC Name: N-[3-[(1R)-1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide
• SMILES: C[C@@H](Oc1cc(Cl)cnc1N)c1cccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)c1
• InChI: InChI=1S/C26H30ClN5O2/c1-18(34-24-15-22(27)16-29-25(24)28)21-4-3-5-23(14-21)30-26(33)20-8-6-19(7-9-20)17-32-12-10-31(2)11-13-32/h3-9,14-16,18H,10-13,17H2,1-2H3,(H2,28,29)(H,30,33)/t18-/m1/s1
• InChIKey: VLUPEFKRUYPWTO-GOSISDBHSA-N
• XLogP: 4.46
• TPSA: 83.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	480.01
LogP ≤ 5	4.46
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[3-[(1R)-1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide?

The IUPAC name of N-[3-[(1R)-1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide (CID 139506738) is N-[3-[(1R)-1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide.

What is the SMILES notation for N-[3-[(1R)-1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide?

The canonical SMILES for N-[3-[(1R)-1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide is C[C@@H](Oc1cc(Cl)cnc1N)c1cccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)c1.

What is the InChIKey of N-[3-[(1R)-1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide?

The InChIKey is VLUPEFKRUYPWTO-GOSISDBHSA-N. The full InChI is InChI=1S/C26H30ClN5O2/c1-18(34-24-15-22(27)16-29-25(24)28)21-4-3-5-23(14-21)30-26(33)20-8-6-19(7-9-20)17-32-12-10-31(2)11-13-32/h3-9,14-16,18H,10-13,17H2,1-2H3,(H2,28,29)(H,30,33)/t18-/m1/s1.

What are the key properties of N-[3-[(1R)-1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide?

N-[3-[(1R)-1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide has a molecular weight of 480.01 g/mol, XLogP of 4.46, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[(1R)-1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide is sourced from PubChem (CID 139506738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).