N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-(2-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)piperidin-1-yl]-2-oxoacetamide

C28H37N7O2 — CID 176910046

IUPACN-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-(2-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)piperidin-1-yl]-2-oxoacetamide
SMILESCCc1cc(NC(=O)C(=O)N2C[C@@H](C)CC[C@@H]2c2ccc3c(c2)nc2n3CCN(C(C)C)C2)cnc1N
InChIInChI=1S/C28H37N7O2/c1-5-19-12-21(14-30-26(19)29)31-27(36)28(37)35-15-18(4)6-8-23(35)20-7-9-24-22(13-20)32-25-16-33(17(2)3)10-11-34(24)25/h7,9,12-14,17-18,23H,5-6,8,10-11,15-16H2,1-4H3,(H2,29,30)(H,31,36)/t18-,23+/m0/s1
InChIKeyMXOSLBRHWPWULZ-FDDCHVKYSA-N
MW503.65 g/mol
LogP3.74
Rot. Bonds4

About N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-(2-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)piperidin-1-yl]-2-oxoacetamide

N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-(2-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)piperidin-1-yl]-2-oxoacetamide (PubChem CID 176910046) has the molecular formula C28H37N7O2 and a molecular weight of 503.65 g/mol. Its IUPAC name is N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-(2-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)piperidin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-(2-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)piperidin-1-yl]-2-oxoacetamide
PubChem CID176910046
Molecular FormulaC28H37N7O2
Molecular Weight503.65 g/mol
Exact Mass503.30
IUPAC NameN-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-(2-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)piperidin-1-yl]-2-oxoacetamide
SMILESCCc1cc(NC(=O)C(=O)N2C[C@@H](C)CC[C@@H]2c2ccc3c(c2)nc2n3CCN(C(C)C)C2)cnc1N
InChIInChI=1S/C28H37N7O2/c1-5-19-12-21(14-30-26(19)29)31-27(36)28(37)35-15-18(4)6-8-23(35)20-7-9-24-22(13-20)32-25-16-33(17(2)3)10-11-34(24)25/h7,9,12-14,17-18,23H,5-6,8,10-11,15-16H2,1-4H3,(H2,29,30)(H,31,36)/t18-,23+/m0/s1
InChIKeyMXOSLBRHWPWULZ-FDDCHVKYSA-N
XLogP3.74
TPSA109.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.65
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-(2-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)piperidin-1-yl]-2-oxoacetamide?
The IUPAC name of N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-(2-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)piperidin-1-yl]-2-oxoacetamide (CID 176910046) is N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-(2-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)piperidin-1-yl]-2-oxoacetamide.
What is the SMILES notation for N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-(2-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)piperidin-1-yl]-2-oxoacetamide?
The canonical SMILES for N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-(2-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)piperidin-1-yl]-2-oxoacetamide is CCc1cc(NC(=O)C(=O)N2C[C@@H](C)CC[C@@H]2c2ccc3c(c2)nc2n3CCN(C(C)C)C2)cnc1N.
What is the InChIKey of N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-(2-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)piperidin-1-yl]-2-oxoacetamide?
The InChIKey is MXOSLBRHWPWULZ-FDDCHVKYSA-N. The full InChI is InChI=1S/C28H37N7O2/c1-5-19-12-21(14-30-26(19)29)31-27(36)28(37)35-15-18(4)6-8-23(35)20-7-9-24-22(13-20)32-25-16-33(17(2)3)10-11-34(24)25/h7,9,12-14,17-18,23H,5-6,8,10-11,15-16H2,1-4H3,(H2,29,30)(H,31,36)/t18-,23+/m0/s1.
What are the key properties of N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-(2-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)piperidin-1-yl]-2-oxoacetamide?
N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-(2-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)piperidin-1-yl]-2-oxoacetamide has a molecular weight of 503.65 g/mol, XLogP of 3.74, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-(2-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)piperidin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 176910046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).