(2R,3S)-2-methyl-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]morpholine-3-carboxamide

C19H21N5O3 — CID 120924189

IUPAC(2R,3S)-2-methyl-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]morpholine-3-carboxamide
SMILESC[C@H]1OCCN[C@@H]1C(=O)Nc1cccc(Cn2nc3ccccn3c2=O)c1
InChIInChI=1S/C19H21N5O3/c1-13-17(20-8-10-27-13)18(25)21-15-6-4-5-14(11-15)12-24-19(26)23-9-3-2-7-16(23)22-24/h2-7,9,11,13,17,20H,8,10,12H2,1H3,(H,21,25)/t13-,17+/m1/s1
InChIKeyXENGHYPBNYNIIG-DYVFJYSZSA-N
MW367.41 g/mol
LogP0.86
Rot. Bonds4

About (2R,3S)-2-methyl-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]morpholine-3-carboxamide

(2R,3S)-2-methyl-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]morpholine-3-carboxamide (PubChem CID 120924189) has the molecular formula C19H21N5O3 and a molecular weight of 367.41 g/mol. Its IUPAC name is (2R,3S)-2-methyl-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]morpholine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-2-methyl-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]morpholine-3-carboxamide
PubChem CID120924189
Molecular FormulaC19H21N5O3
Molecular Weight367.41 g/mol
Exact Mass367.16
IUPAC Name(2R,3S)-2-methyl-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]morpholine-3-carboxamide
SMILESC[C@H]1OCCN[C@@H]1C(=O)Nc1cccc(Cn2nc3ccccn3c2=O)c1
InChIInChI=1S/C19H21N5O3/c1-13-17(20-8-10-27-13)18(25)21-15-6-4-5-14(11-15)12-24-19(26)23-9-3-2-7-16(23)22-24/h2-7,9,11,13,17,20H,8,10,12H2,1H3,(H,21,25)/t13-,17+/m1/s1
InChIKeyXENGHYPBNYNIIG-DYVFJYSZSA-N
XLogP0.86
TPSA89.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(2R,3S)-2-methyl-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]morpholine-3-carboxamide
CID 120939329
(2R,3S)-2-methyl-N-[3-(morpholin-4-ylmethyl)phenyl]morpholine-3-carboxamide
CID 120939995
N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]-5-azaspiro[2.5]octane-2-carboxamide
CID 167833531
(2R,3S)-2-methyl-N-[3-(thiomorpholin-4-ylmethyl)phenyl]morpholine-3-carboxamide
CID 120940530
2-(3,4-dichlorophenyl)-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]cyclopropane-1-carboxamide
CID 154832645
(2R,3S)-2-methyl-N-[3-(methylsulfonylmethyl)phenyl]morpholine-3-carboxamide
CID 120928654
cis-(1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]cyclopropane-1-carboxamide
CID 94825100
(E)-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]-3-phenylbut-2-enamide
CID 98864202
2-amino-3-methyl-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]pentanamide;hydrochloride
CID 119722869
N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]-1,3-benzodioxole-5-carboxamide
CID 55703024
3-(2-oxo-1,3-benzoxazol-3-yl)-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]propanamide
CID 55697961
3-benzoyl-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]-1,3-thiazolidine-4-carboxamide
CID 55698056

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-methyl-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]morpholine-3-carboxamide?
The IUPAC name of (2R,3S)-2-methyl-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]morpholine-3-carboxamide (CID 120924189) is (2R,3S)-2-methyl-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]morpholine-3-carboxamide.
What is the SMILES notation for (2R,3S)-2-methyl-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]morpholine-3-carboxamide?
The canonical SMILES for (2R,3S)-2-methyl-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]morpholine-3-carboxamide is C[C@H]1OCCN[C@@H]1C(=O)Nc1cccc(Cn2nc3ccccn3c2=O)c1.
What is the InChIKey of (2R,3S)-2-methyl-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]morpholine-3-carboxamide?
The InChIKey is XENGHYPBNYNIIG-DYVFJYSZSA-N. The full InChI is InChI=1S/C19H21N5O3/c1-13-17(20-8-10-27-13)18(25)21-15-6-4-5-14(11-15)12-24-19(26)23-9-3-2-7-16(23)22-24/h2-7,9,11,13,17,20H,8,10,12H2,1H3,(H,21,25)/t13-,17+/m1/s1.
What are the key properties of (2R,3S)-2-methyl-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]morpholine-3-carboxamide?
(2R,3S)-2-methyl-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]morpholine-3-carboxamide has a molecular weight of 367.41 g/mol, XLogP of 0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-methyl-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]morpholine-3-carboxamide is sourced from PubChem (CID 120924189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).