N-[[(2R)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-6-oxo-1H-pyridine-2-carboxamide

C21H30N4O4 — CID 125165420

IUPACN-[[(2R)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-6-oxo-1H-pyridine-2-carboxamide
SMILESO=C(NC[C@@H]1CN(CC2CCN(CC3CC3)CC2)C(=O)CO1)c1cccc(=O)[nH]1
InChIInChI=1S/C21H30N4O4/c26-19-3-1-2-18(23-19)21(28)22-10-17-13-25(20(27)14-29-17)12-16-6-8-24(9-7-16)11-15-4-5-15/h1-3,15-17H,4-14H2,(H,22,28)(H,23,26)/t17-/m1/s1
InChIKeyGBTBAQGKANLYBU-QGZVFWFLSA-N
MW402.50 g/mol
LogP0.45
Rot. Bonds7

About N-[[(2R)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-6-oxo-1H-pyridine-2-carboxamide

N-[[(2R)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-6-oxo-1H-pyridine-2-carboxamide (PubChem CID 125165420) has the molecular formula C21H30N4O4 and a molecular weight of 402.50 g/mol. Its IUPAC name is N-[[(2R)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-6-oxo-1H-pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[(2R)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-6-oxo-1H-pyridine-2-carboxamide
PubChem CID125165420
Molecular FormulaC21H30N4O4
Molecular Weight402.50 g/mol
Exact Mass402.23
IUPAC NameN-[[(2R)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-6-oxo-1H-pyridine-2-carboxamide
SMILESO=C(NC[C@@H]1CN(CC2CCN(CC3CC3)CC2)C(=O)CO1)c1cccc(=O)[nH]1
InChIInChI=1S/C21H30N4O4/c26-19-3-1-2-18(23-19)21(28)22-10-17-13-25(20(27)14-29-17)12-16-6-8-24(9-7-16)11-15-4-5-15/h1-3,15-17H,4-14H2,(H,22,28)(H,23,26)/t17-/m1/s1
InChIKeyGBTBAQGKANLYBU-QGZVFWFLSA-N
XLogP0.45
TPSA94.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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]-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-[[4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-2-(2-hydroxyphenyl)acetamide
CID 154568227
N-[[(2S)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-1,2-oxazole-3-carboxamide
CID 125159273
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-(2-oxo-1-pyridinyl)acetamide
CID 125170428
N-[[(2S)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-5-methyl-2H-triazole-4-carboxamide
CID 125163956
N-[[(2R)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-2,6-dimethylpyridine-4-carboxamide
CID 125165829
N-[[4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-4-fluoro-2-hydroxybenzamide
CID 146039284
(E)-N-[[4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-3-phenylprop-2-enamide
CID 118785319
N-[[(2S)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 125170829

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-6-oxo-1H-pyridine-2-carboxamide?
The IUPAC name of N-[[(2R)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-6-oxo-1H-pyridine-2-carboxamide (CID 125165420) is N-[[(2R)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-6-oxo-1H-pyridine-2-carboxamide.
What is the SMILES notation for N-[[(2R)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-6-oxo-1H-pyridine-2-carboxamide?
The canonical SMILES for N-[[(2R)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-6-oxo-1H-pyridine-2-carboxamide is O=C(NC[C@@H]1CN(CC2CCN(CC3CC3)CC2)C(=O)CO1)c1cccc(=O)[nH]1.
What is the InChIKey of N-[[(2R)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-6-oxo-1H-pyridine-2-carboxamide?
The InChIKey is GBTBAQGKANLYBU-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H30N4O4/c26-19-3-1-2-18(23-19)21(28)22-10-17-13-25(20(27)14-29-17)12-16-6-8-24(9-7-16)11-15-4-5-15/h1-3,15-17H,4-14H2,(H,22,28)(H,23,26)/t17-/m1/s1.
What are the key properties of N-[[(2R)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-6-oxo-1H-pyridine-2-carboxamide?
N-[[(2R)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-6-oxo-1H-pyridine-2-carboxamide has a molecular weight of 402.50 g/mol, XLogP of 0.45, 7 rotatable bonds, 2 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]-6-oxo-1H-pyridine-2-carboxamide is sourced from PubChem (CID 125165420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).