N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-2-[3-[3-(dimethylamino)propoxy]phenyl]-5-methylpiperidin-1-yl]-2-oxoacetamide

C26H37N5O3 — CID 164751984

IUPACN-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-2-[3-[3-(dimethylamino)propoxy]phenyl]-5-methylpiperidin-1-yl]-2-oxoacetamide
SMILESCCc1cc(NC(=O)C(=O)N2C[C@@H](C)CC[C@@H]2c2cccc(OCCCN(C)C)c2)cnc1N
InChIInChI=1S/C26H37N5O3/c1-5-19-14-21(16-28-24(19)27)29-25(32)26(33)31-17-18(2)10-11-23(31)20-8-6-9-22(15-20)34-13-7-12-30(3)4/h6,8-9,14-16,18,23H,5,7,10-13,17H2,1-4H3,(H2,27,28)(H,29,32)/t18-,23+/m0/s1
InChIKeyHMJIXLHRCDSPON-FDDCHVKYSA-N
MW467.61 g/mol
LogP3.49
Rot. Bonds8

About N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-2-[3-[3-(dimethylamino)propoxy]phenyl]-5-methylpiperidin-1-yl]-2-oxoacetamide

N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-2-[3-[3-(dimethylamino)propoxy]phenyl]-5-methylpiperidin-1-yl]-2-oxoacetamide (PubChem CID 164751984) has the molecular formula C26H37N5O3 and a molecular weight of 467.61 g/mol. Its IUPAC name is N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-2-[3-[3-(dimethylamino)propoxy]phenyl]-5-methylpiperidin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-2-[3-[3-(dimethylamino)propoxy]phenyl]-5-methylpiperidin-1-yl]-2-oxoacetamide
PubChem CID164751984
Molecular FormulaC26H37N5O3
Molecular Weight467.61 g/mol
Exact Mass467.29
IUPAC NameN-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-2-[3-[3-(dimethylamino)propoxy]phenyl]-5-methylpiperidin-1-yl]-2-oxoacetamide
SMILESCCc1cc(NC(=O)C(=O)N2C[C@@H](C)CC[C@@H]2c2cccc(OCCCN(C)C)c2)cnc1N
InChIInChI=1S/C26H37N5O3/c1-5-19-14-21(16-28-24(19)27)29-25(32)26(33)31-17-18(2)10-11-23(31)20-8-6-9-22(15-20)34-13-7-12-30(3)4/h6,8-9,14-16,18,23H,5,7,10-13,17H2,1-4H3,(H2,27,28)(H,29,32)/t18-,23+/m0/s1
InChIKeyHMJIXLHRCDSPON-FDDCHVKYSA-N
XLogP3.49
TPSA100.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.61
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-2-[3-[2-(dimethylamino)ethoxy]phenyl]-5-methylpiperidin-1-yl]-2-oxoacetamide
CID 165060620
N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]phenyl]piperidin-1-yl]-2-oxoacetamide
CID 164753764
N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[3-[(3S)-1-methylpyrrolidin-3-yl]oxyphenyl]piperidin-1-yl]-2-oxoacetamide
CID 176761363
N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[3-[(3R)-1-methylpyrrolidin-3-yl]phenyl]piperidin-1-yl]-2-oxoacetamide
CID 166022686
2-[(2S,5R)-2-(4-acetamidophenyl)-5-methylpiperidin-1-yl]-N-(6-amino-5-ethyl-3-pyridinyl)-2-oxoacetamide
CID 166022591
tert-butyl 3-[3-[(2R,5S)-1-[2-[(6-amino-5-ethyl-3-pyridinyl)amino]-2-oxoacetyl]-5-methylpiperidin-2-yl]phenyl]piperidine-1-carboxylate
CID 171756006
N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-2-[2-[2-(dimethylamino)ethyl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetamide
CID 164752649
N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2S,5R)-2-[6-(methanesulfonamido)-3-pyridinyl]-5-methylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-2-[6-(methanesulfonamido)-3-pyridinyl]-5-methylpiperidin-1-yl]-2-oxoacetamide
CID 165076589
N-(6-amino-5-methyl-3-pyridinyl)-2-[(5R)-5-methyl-2-phenylpiperidin-1-yl]-2-oxoacetamide
CID 167033892
N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-2-[2-[3-[(dimethylamino)methyl]oxetan-3-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetamide
CID 164752440
[4-[(2S,5R)-1-[2-[(6-amino-5-methyl-3-pyridinyl)amino]-2-oxoacetyl]-5-methylpiperidin-2-yl]phenyl] acetate
CID 164751936
N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-2-oxoacetamide
CID 164751196

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-2-[3-[3-(dimethylamino)propoxy]phenyl]-5-methylpiperidin-1-yl]-2-oxoacetamide?
The IUPAC name of N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-2-[3-[3-(dimethylamino)propoxy]phenyl]-5-methylpiperidin-1-yl]-2-oxoacetamide (CID 164751984) is N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-2-[3-[3-(dimethylamino)propoxy]phenyl]-5-methylpiperidin-1-yl]-2-oxoacetamide.
What is the SMILES notation for N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-2-[3-[3-(dimethylamino)propoxy]phenyl]-5-methylpiperidin-1-yl]-2-oxoacetamide?
The canonical SMILES for N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-2-[3-[3-(dimethylamino)propoxy]phenyl]-5-methylpiperidin-1-yl]-2-oxoacetamide is CCc1cc(NC(=O)C(=O)N2C[C@@H](C)CC[C@@H]2c2cccc(OCCCN(C)C)c2)cnc1N.
What is the InChIKey of N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-2-[3-[3-(dimethylamino)propoxy]phenyl]-5-methylpiperidin-1-yl]-2-oxoacetamide?
The InChIKey is HMJIXLHRCDSPON-FDDCHVKYSA-N. The full InChI is InChI=1S/C26H37N5O3/c1-5-19-14-21(16-28-24(19)27)29-25(32)26(33)31-17-18(2)10-11-23(31)20-8-6-9-22(15-20)34-13-7-12-30(3)4/h6,8-9,14-16,18,23H,5,7,10-13,17H2,1-4H3,(H2,27,28)(H,29,32)/t18-,23+/m0/s1.
What are the key properties of N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-2-[3-[3-(dimethylamino)propoxy]phenyl]-5-methylpiperidin-1-yl]-2-oxoacetamide?
N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-2-[3-[3-(dimethylamino)propoxy]phenyl]-5-methylpiperidin-1-yl]-2-oxoacetamide has a molecular weight of 467.61 g/mol, XLogP of 3.49, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-2-[3-[3-(dimethylamino)propoxy]phenyl]-5-methylpiperidin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 164751984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).