2-N-[(1S)-1-[(2R)-4-benzylmorpholin-2-yl]propyl]pyridine-2,5-dicarboxamide

C21H26N4O3 — CID 96542255

IUPAC2-N-[(1S)-1-[(2R)-4-benzylmorpholin-2-yl]propyl]pyridine-2,5-dicarboxamide
SMILESCC[C@H](NC(=O)c1ccc(C(N)=O)cn1)[C@H]1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C21H26N4O3/c1-2-17(24-21(27)18-9-8-16(12-23-18)20(22)26)19-14-25(10-11-28-19)13-15-6-4-3-5-7-15/h3-9,12,17,19H,2,10-11,13-14H2,1H3,(H2,22,26)(H,24,27)/t17-,19+/m0/s1
InChIKeyQBPBTUMGFUGTPH-PKOBYXMFSA-N
MW382.46 g/mol
LogP1.59
Rot. Bonds7

About 2-N-[(1S)-1-[(2R)-4-benzylmorpholin-2-yl]propyl]pyridine-2,5-dicarboxamide

2-N-[(1S)-1-[(2R)-4-benzylmorpholin-2-yl]propyl]pyridine-2,5-dicarboxamide (PubChem CID 96542255) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is 2-N-[(1S)-1-[(2R)-4-benzylmorpholin-2-yl]propyl]pyridine-2,5-dicarboxamide.

Molecular Properties

Compound Name2-N-[(1S)-1-[(2R)-4-benzylmorpholin-2-yl]propyl]pyridine-2,5-dicarboxamide
PubChem CID96542255
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC Name2-N-[(1S)-1-[(2R)-4-benzylmorpholin-2-yl]propyl]pyridine-2,5-dicarboxamide
SMILESCC[C@H](NC(=O)c1ccc(C(N)=O)cn1)[C@H]1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C21H26N4O3/c1-2-17(24-21(27)18-9-8-16(12-23-18)20(22)26)19-14-25(10-11-28-19)13-15-6-4-3-5-7-15/h3-9,12,17,19H,2,10-11,13-14H2,1H3,(H2,22,26)(H,24,27)/t17-,19+/m0/s1
InChIKeyQBPBTUMGFUGTPH-PKOBYXMFSA-N
XLogP1.59
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R)-1-[(2S)-4-benzylmorpholin-2-yl]propyl]thiadiazole-4-carboxamide
CID 97095923
6-[1-(4-benzylmorpholin-2-yl)propylamino]-5-chloropyridine-3-carboxamide
CID 133364240
(2S)-2-amino-N-[1-(4-benzylmorpholin-2-yl)propyl]butanamide
CID 119900648
(2S)-2-amino-N-[1-(4-benzylmorpholin-2-yl)propyl]butanamide;dihydrochloride
CID 119900647
N-[(1R)-1-[(2S)-4-benzylmorpholin-2-yl]propyl]-2-cyclopropyl-1,3-thiazole-4-carboxamide
CID 96542270
5-amino-N-[1-(4-benzylmorpholin-2-yl)propyl]-2-methylbenzamide
CID 120647819
N-[(1S)-1-[(2S)-4-benzylmorpholin-2-yl]propyl]-3,4-dihydro-2H-pyran-5-carboxamide
CID 124588230
N-[(1R)-1-[(2R)-4-benzylmorpholin-2-yl]ethyl]-6-methylpyridine-3-carboxamide
CID 95775940
6-[1-(4-benzylmorpholin-2-yl)propylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133364265
N-[1-(4-benzylmorpholin-2-yl)propyl]-2-methyl-3-(methylamino)propanamide
CID 119900646
3-(2-aminophenyl)-N-[1-(4-benzylmorpholin-2-yl)propyl]propanamide
CID 120613507
N-[(1R)-1-[(2S)-4-benzylmorpholin-2-yl]propyl]-2-[methyl(methylsulfonyl)amino]acetamide
CID 96542266

Frequently Asked Questions

What is the IUPAC name of 2-N-[(1S)-1-[(2R)-4-benzylmorpholin-2-yl]propyl]pyridine-2,5-dicarboxamide?
The IUPAC name of 2-N-[(1S)-1-[(2R)-4-benzylmorpholin-2-yl]propyl]pyridine-2,5-dicarboxamide (CID 96542255) is 2-N-[(1S)-1-[(2R)-4-benzylmorpholin-2-yl]propyl]pyridine-2,5-dicarboxamide.
What is the SMILES notation for 2-N-[(1S)-1-[(2R)-4-benzylmorpholin-2-yl]propyl]pyridine-2,5-dicarboxamide?
The canonical SMILES for 2-N-[(1S)-1-[(2R)-4-benzylmorpholin-2-yl]propyl]pyridine-2,5-dicarboxamide is CC[C@H](NC(=O)c1ccc(C(N)=O)cn1)[C@H]1CN(Cc2ccccc2)CCO1.
What is the InChIKey of 2-N-[(1S)-1-[(2R)-4-benzylmorpholin-2-yl]propyl]pyridine-2,5-dicarboxamide?
The InChIKey is QBPBTUMGFUGTPH-PKOBYXMFSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-2-17(24-21(27)18-9-8-16(12-23-18)20(22)26)19-14-25(10-11-28-19)13-15-6-4-3-5-7-15/h3-9,12,17,19H,2,10-11,13-14H2,1H3,(H2,22,26)(H,24,27)/t17-,19+/m0/s1.
What are the key properties of 2-N-[(1S)-1-[(2R)-4-benzylmorpholin-2-yl]propyl]pyridine-2,5-dicarboxamide?
2-N-[(1S)-1-[(2R)-4-benzylmorpholin-2-yl]propyl]pyridine-2,5-dicarboxamide has a molecular weight of 382.46 g/mol, XLogP of 1.59, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(1S)-1-[(2R)-4-benzylmorpholin-2-yl]propyl]pyridine-2,5-dicarboxamide is sourced from PubChem (CID 96542255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).