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

C27H35N7O2 — CID 176910118

IUPACN-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-2-(2-ethyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide
SMILESCCc1cc(NC(=O)C(=O)N2C[C@@H](C)CC[C@@H]2c2ccc3c(c2)nc2n3CCN(CC)C2)cnc1N
InChIInChI=1S/C27H35N7O2/c1-4-18-12-20(14-29-25(18)28)30-26(35)27(36)34-15-17(3)6-8-22(34)19-7-9-23-21(13-19)31-24-16-32(5-2)10-11-33(23)24/h7,9,12-14,17,22H,4-6,8,10-11,15-16H2,1-3H3,(H2,28,29)(H,30,35)/t17-,22+/m0/s1
InChIKeyCDVRHZCMWTZKIC-HTAPYJJXSA-N
MW489.62 g/mol
LogP3.35
Rot. Bonds4

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

N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-2-(2-ethyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide (PubChem CID 176910118) has the molecular formula C27H35N7O2 and a molecular weight of 489.62 g/mol. Its IUPAC name is N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-2-(2-ethyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-2-(2-ethyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide
PubChem CID176910118
Molecular FormulaC27H35N7O2
Molecular Weight489.62 g/mol
Exact Mass489.29
IUPAC NameN-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-2-(2-ethyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide
SMILESCCc1cc(NC(=O)C(=O)N2C[C@@H](C)CC[C@@H]2c2ccc3c(c2)nc2n3CCN(CC)C2)cnc1N
InChIInChI=1S/C27H35N7O2/c1-4-18-12-20(14-29-25(18)28)30-26(35)27(36)34-15-17(3)6-8-22(34)19-7-9-23-21(13-19)31-24-16-32(5-2)10-11-33(23)24/h7,9,12-14,17,22H,4-6,8,10-11,15-16H2,1-3H3,(H2,28,29)(H,30,35)/t17-,22+/m0/s1
InChIKeyCDVRHZCMWTZKIC-HTAPYJJXSA-N
XLogP3.35
TPSA109.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.62
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-2-(2-ethyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-2-(2-ethyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide?
The IUPAC name of N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-2-(2-ethyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide (CID 176910118) is N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-2-(2-ethyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide.
What is the SMILES notation for N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-2-(2-ethyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide?
The canonical SMILES for N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-2-(2-ethyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide is CCc1cc(NC(=O)C(=O)N2C[C@@H](C)CC[C@@H]2c2ccc3c(c2)nc2n3CCN(CC)C2)cnc1N.
What is the InChIKey of N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-2-(2-ethyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide?
The InChIKey is CDVRHZCMWTZKIC-HTAPYJJXSA-N. The full InChI is InChI=1S/C27H35N7O2/c1-4-18-12-20(14-29-25(18)28)30-26(35)27(36)34-15-17(3)6-8-22(34)19-7-9-23-21(13-19)31-24-16-32(5-2)10-11-33(23)24/h7,9,12-14,17,22H,4-6,8,10-11,15-16H2,1-3H3,(H2,28,29)(H,30,35)/t17-,22+/m0/s1.
What are the key properties of N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-2-(2-ethyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide?
N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-2-(2-ethyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide has a molecular weight of 489.62 g/mol, XLogP of 3.35, 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)-2-(2-ethyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 176910118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).