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

About 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

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 (PubChem CID 166022686) has the molecular formula C26H35N5O2 and a molecular weight of 449.60 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name	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
PubChem CID	166022686
Molecular Formula	C26H35N5O2
Molecular Weight	449.60 g/mol
Exact Mass	449.28
IUPAC Name	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
SMILES	CCc1cc(NC(=O)C(=O)N2C[C@@H](C)CC[C@@H]2c2cccc([C@H]3CCN(C)C3)c2)cnc1N
InChI	InChI=1S/C26H35N5O2/c1-4-18-13-22(14-28-24(18)27)29-25(32)26(33)31-15-17(2)8-9-23(31)20-7-5-6-19(12-20)21-10-11-30(3)16-21/h5-7,12-14,17,21,23H,4,8-11,15-16H2,1-3H3,(H2,27,28)(H,29,32)/t17-,21-,23+/m0/s1
InChIKey	UVJHRNCYWRYGLX-JWNTYJGQSA-N
XLogP	3.58
TPSA	91.56 Å²
H-Bond Donors	2
H-Bond Acceptors	5
Rotatable Bonds	4
Heavy Atoms	33
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	449.60
LogP ≤ 5	3.58
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CCc1cc(NC(=O)C(=O)N2C[C@@H](C)CC[C@@H]2c2cccc([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-[(3R)-1-methylpyrrolidin-3-yl]phenyl]piperidin-1-yl]-2-oxoacetamide?

The InChIKey is UVJHRNCYWRYGLX-JWNTYJGQSA-N. The full InChI is InChI=1S/C26H35N5O2/c1-4-18-13-22(14-28-24(18)27)29-25(32)26(33)31-15-17(2)8-9-23(31)20-7-5-6-19(12-20)21-10-11-30(3)16-21/h5-7,12-14,17,21,23H,4,8-11,15-16H2,1-3H3,(H2,27,28)(H,29,32)/t17-,21-,23+/m0/s1.

What are the key properties of 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?

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 has a molecular weight of 449.60 g/mol, XLogP of 3.58, 4 rotatable bonds, 2 hydrogen bond donors, and 5 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-[(3R)-1-methylpyrrolidin-3-yl]phenyl]piperidin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 166022686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).