N-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]pyridine-4-carboxamide

C15H23N3O2 — CID 51725583

IUPACN-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]pyridine-4-carboxamide
SMILESC[C@@H]1CN(CCCNC(=O)c2ccncc2)C[C@@H](C)O1
InChIInChI=1S/C15H23N3O2/c1-12-10-18(11-13(2)20-12)9-3-6-17-15(19)14-4-7-16-8-5-14/h4-5,7-8,12-13H,3,6,9-11H2,1-2H3,(H,17,19)/t12-,13-/m1/s1
InChIKeyPGIRNMBDMYXKDG-CHWSQXEVSA-N
MW277.37 g/mol
LogP1.31
Rot. Bonds5

About N-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]pyridine-4-carboxamide

N-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]pyridine-4-carboxamide (PubChem CID 51725583) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]pyridine-4-carboxamide
PubChem CID51725583
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]pyridine-4-carboxamide
SMILESC[C@@H]1CN(CCCNC(=O)c2ccncc2)C[C@@H](C)O1
InChIInChI=1S/C15H23N3O2/c1-12-10-18(11-13(2)20-12)9-3-6-17-15(19)14-4-7-16-8-5-14/h4-5,7-8,12-13H,3,6,9-11H2,1-2H3,(H,17,19)/t12-,13-/m1/s1
InChIKeyPGIRNMBDMYXKDG-CHWSQXEVSA-N
XLogP1.31
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-hydroxybenzamide
CID 75451905
N-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]-3-hydroxybenzamide
CID 97347364
4-tert-butyl-N-[3-[3-(2,6-dimethylmorpholin-4-yl)propylamino]-3-oxopropyl]benzamide
CID 55629039
N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]pyridine-4-carboxamide
CID 47019977
N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-2-methylpyrazole-3-carboxamide
CID 95127238
4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[4-(3,5-dimethylpiperidin-1-yl)butyl]benzamide
CID 55811580
N-[2-(2,6-dimethylmorpholin-4-yl)propyl]pyridine-4-carboxamide
CID 42958335
N-[3-[3-(2,6-dimethylmorpholin-4-yl)propylamino]-3-oxopropyl]naphthalene-2-carboxamide
CID 55631634
N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]butyl]-1H-indole-5-carboxamide
CID 97024088
2-amino-N-[4-(2,6-dimethylmorpholin-4-yl)butyl]benzamide
CID 119946742
1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-pyridin-2-ylurea
CID 51084139
N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
CID 55629229

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]pyridine-4-carboxamide?
The IUPAC name of N-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]pyridine-4-carboxamide (CID 51725583) is N-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]pyridine-4-carboxamide?
The canonical SMILES for N-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]pyridine-4-carboxamide is C[C@@H]1CN(CCCNC(=O)c2ccncc2)C[C@@H](C)O1.
What is the InChIKey of N-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]pyridine-4-carboxamide?
The InChIKey is PGIRNMBDMYXKDG-CHWSQXEVSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-12-10-18(11-13(2)20-12)9-3-6-17-15(19)14-4-7-16-8-5-14/h4-5,7-8,12-13H,3,6,9-11H2,1-2H3,(H,17,19)/t12-,13-/m1/s1.
What are the key properties of N-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]pyridine-4-carboxamide?
N-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]pyridine-4-carboxamide has a molecular weight of 277.37 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]pyridine-4-carboxamide is sourced from PubChem (CID 51725583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).