N-[(2S)-1-[[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methylamino]-1-oxopropan-2-yl]furan-3-carboxamide

C20H26N4O4 — CID 98691531

IUPACN-[(2S)-1-[[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methylamino]-1-oxopropan-2-yl]furan-3-carboxamide
SMILESC[C@@H]1CN(c2ccc(CNC(=O)[C@H](C)NC(=O)c3ccoc3)cn2)C[C@@H](C)O1
InChIInChI=1S/C20H26N4O4/c1-13-10-24(11-14(2)28-13)18-5-4-16(8-21-18)9-22-19(25)15(3)23-20(26)17-6-7-27-12-17/h4-8,12-15H,9-11H2,1-3H3,(H,22,25)(H,23,26)/t13-,14-,15+/m1/s1
InChIKeyGCOQZWMETDUSSK-KFWWJZLASA-N
MW386.45 g/mol
LogP1.72
Rot. Bonds6

About N-[(2S)-1-[[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methylamino]-1-oxopropan-2-yl]furan-3-carboxamide

N-[(2S)-1-[[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methylamino]-1-oxopropan-2-yl]furan-3-carboxamide (PubChem CID 98691531) has the molecular formula C20H26N4O4 and a molecular weight of 386.45 g/mol. Its IUPAC name is N-[(2S)-1-[[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methylamino]-1-oxopropan-2-yl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-[[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methylamino]-1-oxopropan-2-yl]furan-3-carboxamide
PubChem CID98691531
Molecular FormulaC20H26N4O4
Molecular Weight386.45 g/mol
Exact Mass386.20
IUPAC NameN-[(2S)-1-[[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methylamino]-1-oxopropan-2-yl]furan-3-carboxamide
SMILESC[C@@H]1CN(c2ccc(CNC(=O)[C@H](C)NC(=O)c3ccoc3)cn2)C[C@@H](C)O1
InChIInChI=1S/C20H26N4O4/c1-13-10-24(11-14(2)28-13)18-5-4-16(8-21-18)9-22-19(25)15(3)23-20(26)17-6-7-27-12-17/h4-8,12-15H,9-11H2,1-3H3,(H,22,25)(H,23,26)/t13-,14-,15+/m1/s1
InChIKeyGCOQZWMETDUSSK-KFWWJZLASA-N
XLogP1.72
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(2S)-1-[[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methylamino]-1-oxopropan-2-yl]furan-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[(2S)-1-oxo-1-[(6-pyrazol-1-yl-3-pyridinyl)methylamino]propan-2-yl]furan-3-carboxamide
CID 94032072
1-[[6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methyl]-3-[(2R)-1-hydroxypropan-2-yl]urea
CID 100853715
(2S)-2-amino-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3,3-dimethylbutanamide;dihydrochloride
CID 119846441
N-[1-[[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 87012580
4-tert-butyl-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]benzamide
CID 55710371
N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-(propan-2-ylcarbamoylamino)benzamide
CID 55722359
6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-propan-2-ylpyridine-3-carboxamide
CID 37319485
N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-4-methylsulfonylbenzamide
CID 55709939
N-[3-[[6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]amino]-3-oxopropyl]furan-3-carboxamide
CID 51958844
1-[[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methyl]-3-[(3S)-hex-5-en-3-yl]urea
CID 129433350
N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 46487125
N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 55709763

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methylamino]-1-oxopropan-2-yl]furan-3-carboxamide?
The IUPAC name of N-[(2S)-1-[[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methylamino]-1-oxopropan-2-yl]furan-3-carboxamide (CID 98691531) is N-[(2S)-1-[[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methylamino]-1-oxopropan-2-yl]furan-3-carboxamide.
What is the SMILES notation for N-[(2S)-1-[[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methylamino]-1-oxopropan-2-yl]furan-3-carboxamide?
The canonical SMILES for N-[(2S)-1-[[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methylamino]-1-oxopropan-2-yl]furan-3-carboxamide is C[C@@H]1CN(c2ccc(CNC(=O)[C@H](C)NC(=O)c3ccoc3)cn2)C[C@@H](C)O1.
What is the InChIKey of N-[(2S)-1-[[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methylamino]-1-oxopropan-2-yl]furan-3-carboxamide?
The InChIKey is GCOQZWMETDUSSK-KFWWJZLASA-N. The full InChI is InChI=1S/C20H26N4O4/c1-13-10-24(11-14(2)28-13)18-5-4-16(8-21-18)9-22-19(25)15(3)23-20(26)17-6-7-27-12-17/h4-8,12-15H,9-11H2,1-3H3,(H,22,25)(H,23,26)/t13-,14-,15+/m1/s1.
What are the key properties of N-[(2S)-1-[[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methylamino]-1-oxopropan-2-yl]furan-3-carboxamide?
N-[(2S)-1-[[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methylamino]-1-oxopropan-2-yl]furan-3-carboxamide has a molecular weight of 386.45 g/mol, XLogP of 1.72, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methylamino]-1-oxopropan-2-yl]furan-3-carboxamide is sourced from PubChem (CID 98691531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).