(2R,3S)-2-methyl-N-[3-oxo-3-(pyridin-4-ylamino)propyl]morpholine-3-carboxamide;dihydrochloride

C14H22Cl2N4O3 — CID 120940744

IUPAC(2R,3S)-2-methyl-N-[3-oxo-3-(pyridin-4-ylamino)propyl]morpholine-3-carboxamide;dihydrochloride
SMILESC[C@H]1OCCN[C@@H]1C(=O)NCCC(=O)Nc1ccncc1.Cl.Cl
InChIInChI=1S/C14H20N4O3.2ClH/c1-10-13(16-8-9-21-10)14(20)17-7-4-12(19)18-11-2-5-15-6-3-11;;/h2-3,5-6,10,13,16H,4,7-9H2,1H3,(H,17,20)(H,15,18,19);2*1H/t10-,13+;;/m1../s1
InChIKeyOSJZKEMWQFWHMU-SRSVFUAYSA-N
MW365.26 g/mol
LogP0.75
Rot. Bonds5

About (2R,3S)-2-methyl-N-[3-oxo-3-(pyridin-4-ylamino)propyl]morpholine-3-carboxamide;dihydrochloride

(2R,3S)-2-methyl-N-[3-oxo-3-(pyridin-4-ylamino)propyl]morpholine-3-carboxamide;dihydrochloride (PubChem CID 120940744) has the molecular formula C14H22Cl2N4O3 and a molecular weight of 365.26 g/mol. Its IUPAC name is (2R,3S)-2-methyl-N-[3-oxo-3-(pyridin-4-ylamino)propyl]morpholine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound Name(2R,3S)-2-methyl-N-[3-oxo-3-(pyridin-4-ylamino)propyl]morpholine-3-carboxamide;dihydrochloride
PubChem CID120940744
Molecular FormulaC14H22Cl2N4O3
Molecular Weight365.26 g/mol
Exact Mass364.11
IUPAC Name(2R,3S)-2-methyl-N-[3-oxo-3-(pyridin-4-ylamino)propyl]morpholine-3-carboxamide;dihydrochloride
SMILESC[C@H]1OCCN[C@@H]1C(=O)NCCC(=O)Nc1ccncc1.Cl.Cl
InChIInChI=1S/C14H20N4O3.2ClH/c1-10-13(16-8-9-21-10)14(20)17-7-4-12(19)18-11-2-5-15-6-3-11;;/h2-3,5-6,10,13,16H,4,7-9H2,1H3,(H,17,20)(H,15,18,19);2*1H/t10-,13+;;/m1../s1
InChIKeyOSJZKEMWQFWHMU-SRSVFUAYSA-N
XLogP0.75
TPSA92.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.26
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2R,3S)-2-methyl-N-[3-oxo-3-(pyridin-4-ylamino)propyl]morpholine-3-carboxamide;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,3S)-N-[2-(4-bromoanilino)-2-oxoethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120926240
(2R,3S)-N-[2-(4-fluoroanilino)-2-oxoethyl]-2-methylmorpholine-3-carboxamide
CID 120928792
(2R,3S)-N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]-2-methylmorpholine-3-carboxamide
CID 120929440
(2R,3S)-N-[3-(tert-butylamino)-3-oxopropyl]-2-methylmorpholine-3-carboxamide
CID 120931039
(2R,3S)-N-[3-(cyclohexylamino)-3-oxopropyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120926749
(2R,3S)-N-(2-aminoethyl)-2-methylmorpholine-3-carboxamide;hydrochloride
CID 131186208
(2R,3S)-N-(4-acetamidophenyl)-2-methylmorpholine-3-carboxamide
CID 120916743
(2R,3S)-N-(4-iodophenyl)-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120917297
(2R,3S)-2-methyl-N-pyridin-3-ylmorpholine-3-carboxamide
CID 120937694
N-ethyl-2-methylmorpholine-3-carboxamide
CID 131071311
(2R,3S)-N-benzyl-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120916874
(2R,3S)-2-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)morpholine-3-carboxamide;hydrochloride
CID 120923595

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-methyl-N-[3-oxo-3-(pyridin-4-ylamino)propyl]morpholine-3-carboxamide;dihydrochloride?
The IUPAC name of (2R,3S)-2-methyl-N-[3-oxo-3-(pyridin-4-ylamino)propyl]morpholine-3-carboxamide;dihydrochloride (CID 120940744) is (2R,3S)-2-methyl-N-[3-oxo-3-(pyridin-4-ylamino)propyl]morpholine-3-carboxamide;dihydrochloride.
What is the SMILES notation for (2R,3S)-2-methyl-N-[3-oxo-3-(pyridin-4-ylamino)propyl]morpholine-3-carboxamide;dihydrochloride?
The canonical SMILES for (2R,3S)-2-methyl-N-[3-oxo-3-(pyridin-4-ylamino)propyl]morpholine-3-carboxamide;dihydrochloride is C[C@H]1OCCN[C@@H]1C(=O)NCCC(=O)Nc1ccncc1.Cl.Cl.
What is the InChIKey of (2R,3S)-2-methyl-N-[3-oxo-3-(pyridin-4-ylamino)propyl]morpholine-3-carboxamide;dihydrochloride?
The InChIKey is OSJZKEMWQFWHMU-SRSVFUAYSA-N. The full InChI is InChI=1S/C14H20N4O3.2ClH/c1-10-13(16-8-9-21-10)14(20)17-7-4-12(19)18-11-2-5-15-6-3-11;;/h2-3,5-6,10,13,16H,4,7-9H2,1H3,(H,17,20)(H,15,18,19);2*1H/t10-,13+;;/m1../s1.
What are the key properties of (2R,3S)-2-methyl-N-[3-oxo-3-(pyridin-4-ylamino)propyl]morpholine-3-carboxamide;dihydrochloride?
(2R,3S)-2-methyl-N-[3-oxo-3-(pyridin-4-ylamino)propyl]morpholine-3-carboxamide;dihydrochloride has a molecular weight of 365.26 g/mol, XLogP of 0.75, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-methyl-N-[3-oxo-3-(pyridin-4-ylamino)propyl]morpholine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 120940744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).