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

C26H35N5O3 — CID 176761363

IUPACN-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[3-[(3S)-1-methylpyrrolidin-3-yl]oxyphenyl]piperidin-1-yl]-2-oxoacetamide
SMILESCCc1cc(NC(=O)C(=O)N2C[C@@H](C)CC[C@@H]2c2cccc(O[C@H]3CCN(C)C3)c2)cnc1N
InChIInChI=1S/C26H35N5O3/c1-4-18-12-20(14-28-24(18)27)29-25(32)26(33)31-15-17(2)8-9-23(31)19-6-5-7-21(13-19)34-22-10-11-30(3)16-22/h5-7,12-14,17,22-23H,4,8-11,15-16H2,1-3H3,(H2,27,28)(H,29,32)/t17-,22-,23+/m0/s1
InChIKeyQAWPJEONRZWLRJ-PDIWNELESA-N
MW465.60 g/mol
LogP3.25
Rot. Bonds5

About 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

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 (PubChem CID 176761363) has the molecular formula C26H35N5O3 and a molecular weight of 465.60 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[3-[(3S)-1-methylpyrrolidin-3-yl]oxyphenyl]piperidin-1-yl]-2-oxoacetamide
PubChem CID176761363
Molecular FormulaC26H35N5O3
Molecular Weight465.60 g/mol
Exact Mass465.27
IUPAC NameN-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[3-[(3S)-1-methylpyrrolidin-3-yl]oxyphenyl]piperidin-1-yl]-2-oxoacetamide
SMILESCCc1cc(NC(=O)C(=O)N2C[C@@H](C)CC[C@@H]2c2cccc(O[C@H]3CCN(C)C3)c2)cnc1N
InChIInChI=1S/C26H35N5O3/c1-4-18-12-20(14-28-24(18)27)29-25(32)26(33)31-15-17(2)8-9-23(31)19-6-5-7-21(13-19)34-22-10-11-30(3)16-22/h5-7,12-14,17,22-23H,4,8-11,15-16H2,1-3H3,(H2,27,28)(H,29,32)/t17-,22-,23+/m0/s1
InChIKeyQAWPJEONRZWLRJ-PDIWNELESA-N
XLogP3.25
TPSA100.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.60
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[3-[(3S)-1-methylpyrrolidin-3-yl]oxyphenyl]piperidin-1-yl]-2-oxoacetamide?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCc1cc(NC(=O)C(=O)N2C[C@@H](C)CC[C@@H]2c2cccc(O[C@H]3CCN(C)C3)c2)cnc1N.
What is the InChIKey of 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?
The InChIKey is QAWPJEONRZWLRJ-PDIWNELESA-N. The full InChI is InChI=1S/C26H35N5O3/c1-4-18-12-20(14-28-24(18)27)29-25(32)26(33)31-15-17(2)8-9-23(31)19-6-5-7-21(13-19)34-22-10-11-30(3)16-22/h5-7,12-14,17,22-23H,4,8-11,15-16H2,1-3H3,(H2,27,28)(H,29,32)/t17-,22-,23+/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 465.60 g/mol, XLogP of 3.25, 5 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)-5-methyl-2-[3-[(3S)-1-methylpyrrolidin-3-yl]oxyphenyl]piperidin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 176761363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).