N-[[(2R)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-2,6-dimethylpyridine-4-carboxamide

C23H34N4O3 — CID 125165829

IUPACN-[[(2R)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-2,6-dimethylpyridine-4-carboxamide
SMILESCc1cc(C(=O)NC[C@@H]2CN(CC3CCN(CC4CC4)CC3)C(=O)CO2)cc(C)n1
InChIInChI=1S/C23H34N4O3/c1-16-9-20(10-17(2)25-16)23(29)24-11-21-14-27(22(28)15-30-21)13-19-5-7-26(8-6-19)12-18-3-4-18/h9-10,18-19,21H,3-8,11-15H2,1-2H3,(H,24,29)/t21-/m1/s1
InChIKeyDTKUJXPHTUKTQE-OAQYLSRUSA-N
MW414.55 g/mol
LogP1.78
Rot. Bonds7

About N-[[(2R)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-2,6-dimethylpyridine-4-carboxamide

N-[[(2R)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-2,6-dimethylpyridine-4-carboxamide (PubChem CID 125165829) has the molecular formula C23H34N4O3 and a molecular weight of 414.55 g/mol. Its IUPAC name is N-[[(2R)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-2,6-dimethylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[[(2R)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-2,6-dimethylpyridine-4-carboxamide
PubChem CID125165829
Molecular FormulaC23H34N4O3
Molecular Weight414.55 g/mol
Exact Mass414.26
IUPAC NameN-[[(2R)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-2,6-dimethylpyridine-4-carboxamide
SMILESCc1cc(C(=O)NC[C@@H]2CN(CC3CCN(CC4CC4)CC3)C(=O)CO2)cc(C)n1
InChIInChI=1S/C23H34N4O3/c1-16-9-20(10-17(2)25-16)23(29)24-11-21-14-27(22(28)15-30-21)13-19-5-7-26(8-6-19)12-18-3-4-18/h9-10,18-19,21H,3-8,11-15H2,1-2H3,(H,24,29)/t21-/m1/s1
InChIKeyDTKUJXPHTUKTQE-OAQYLSRUSA-N
XLogP1.78
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.55
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[(2R)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-2,6-dimethylpyridine-4-carboxamide with MolForge

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Related Compounds

N-[[(2S)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-2,6-dimethylpyrimidine-4-carboxamide
CID 125162074
N-[[(2S)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-5-methyl-2H-triazole-4-carboxamide
CID 125163956
N-[[(2S)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 125161789
N-[[4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 118763419
N-[[4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-5-methyl-1H-imidazole-2-carboxamide
CID 118785493
N-[[(2R)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-5-methylthiophene-2-carboxamide
CID 125180018
N-[[(2S)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-1,2-oxazole-3-carboxamide
CID 125159273
N-[[(2R)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 125163888
N-[[4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-4-fluoro-2-hydroxybenzamide
CID 146039284
N-[[(2S)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-1-methyl-2-oxopyridine-3-carboxamide
CID 125166643
N-[[(2R)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-2-(triazol-2-yl)acetamide
CID 125166319
N-[[(2R)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-6-oxo-1H-pyridine-2-carboxamide
CID 125165420

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-2,6-dimethylpyridine-4-carboxamide?
The IUPAC name of N-[[(2R)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-2,6-dimethylpyridine-4-carboxamide (CID 125165829) is N-[[(2R)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-2,6-dimethylpyridine-4-carboxamide.
What is the SMILES notation for N-[[(2R)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-2,6-dimethylpyridine-4-carboxamide?
The canonical SMILES for N-[[(2R)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-2,6-dimethylpyridine-4-carboxamide is Cc1cc(C(=O)NC[C@@H]2CN(CC3CCN(CC4CC4)CC3)C(=O)CO2)cc(C)n1.
What is the InChIKey of N-[[(2R)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-2,6-dimethylpyridine-4-carboxamide?
The InChIKey is DTKUJXPHTUKTQE-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H34N4O3/c1-16-9-20(10-17(2)25-16)23(29)24-11-21-14-27(22(28)15-30-21)13-19-5-7-26(8-6-19)12-18-3-4-18/h9-10,18-19,21H,3-8,11-15H2,1-2H3,(H,24,29)/t21-/m1/s1.
What are the key properties of N-[[(2R)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-2,6-dimethylpyridine-4-carboxamide?
N-[[(2R)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-2,6-dimethylpyridine-4-carboxamide has a molecular weight of 414.55 g/mol, XLogP of 1.78, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-2,6-dimethylpyridine-4-carboxamide is sourced from PubChem (CID 125165829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).