(2R,6R)-N-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-2,6-dimethylmorpholine-4-carboxamide

C18H23N5O2 — CID 95571034

IUPAC(2R,6R)-N-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-2,6-dimethylmorpholine-4-carboxamide
SMILESC[C@@H]1CN(C(=O)Nc2cccc(-c3n[nH]c(C4CC4)n3)c2)C[C@@H](C)O1
InChIInChI=1S/C18H23N5O2/c1-11-9-23(10-12(2)25-11)18(24)19-15-5-3-4-14(8-15)17-20-16(21-22-17)13-6-7-13/h3-5,8,11-13H,6-7,9-10H2,1-2H3,(H,19,24)(H,20,21,22)/t11-,12-/m1/s1
InChIKeyCXUPOPHSNWWFDS-VXGBXAGGSA-N
MW341.42 g/mol
LogP2.99
Rot. Bonds3

About (2R,6R)-N-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-2,6-dimethylmorpholine-4-carboxamide

(2R,6R)-N-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-2,6-dimethylmorpholine-4-carboxamide (PubChem CID 95571034) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is (2R,6R)-N-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-2,6-dimethylmorpholine-4-carboxamide.

Molecular Properties

Compound Name(2R,6R)-N-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-2,6-dimethylmorpholine-4-carboxamide
PubChem CID95571034
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name(2R,6R)-N-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-2,6-dimethylmorpholine-4-carboxamide
SMILESC[C@@H]1CN(C(=O)Nc2cccc(-c3n[nH]c(C4CC4)n3)c2)C[C@@H](C)O1
InChIInChI=1S/C18H23N5O2/c1-11-9-23(10-12(2)25-11)18(24)19-15-5-3-4-14(8-15)17-20-16(21-22-17)13-6-7-13/h3-5,8,11-13H,6-7,9-10H2,1-2H3,(H,19,24)(H,20,21,22)/t11-,12-/m1/s1
InChIKeyCXUPOPHSNWWFDS-VXGBXAGGSA-N
XLogP2.99
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R,6R)-N-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-2,6-dimethylmorpholine-4-carboxamide with MolForge

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Related Compounds

N-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-N'-[(2S)-3-methylbutan-2-yl]oxamide
CID 95773539
(2S,6S)-2,6-dimethyl-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]morpholine-4-carboxamide
CID 95571020
(2S,6S)-N-(3-acetylphenyl)-2,6-dimethylmorpholine-4-carboxamide
CID 969916
N-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-4-(methylamino)butanamide
CID 119763580
5-[[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]carbamoyl]pyrazine-2-carboxylic acid
CID 167925038
1-amino-N-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119311925
(2R,6R)-N-(3-chlorophenyl)-2,6-dimethylmorpholine-4-carboxamide
CID 41097571
N-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]morpholine-3-carboxamide;hydrochloride
CID 119763577
N-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119763609
(2S,6S)-2,6-dimethyl-N-phenylmorpholine-4-carboxamide
CID 41097584
(2S,6R)-2,6-dimethyl-N-phenylmorpholine-4-carboxamide
CID 42545481
9-amino-N-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120988682

Frequently Asked Questions

What is the IUPAC name of (2R,6R)-N-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-2,6-dimethylmorpholine-4-carboxamide?
The IUPAC name of (2R,6R)-N-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-2,6-dimethylmorpholine-4-carboxamide (CID 95571034) is (2R,6R)-N-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-2,6-dimethylmorpholine-4-carboxamide.
What is the SMILES notation for (2R,6R)-N-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-2,6-dimethylmorpholine-4-carboxamide?
The canonical SMILES for (2R,6R)-N-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-2,6-dimethylmorpholine-4-carboxamide is C[C@@H]1CN(C(=O)Nc2cccc(-c3n[nH]c(C4CC4)n3)c2)C[C@@H](C)O1.
What is the InChIKey of (2R,6R)-N-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-2,6-dimethylmorpholine-4-carboxamide?
The InChIKey is CXUPOPHSNWWFDS-VXGBXAGGSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-11-9-23(10-12(2)25-11)18(24)19-15-5-3-4-14(8-15)17-20-16(21-22-17)13-6-7-13/h3-5,8,11-13H,6-7,9-10H2,1-2H3,(H,19,24)(H,20,21,22)/t11-,12-/m1/s1.
What are the key properties of (2R,6R)-N-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-2,6-dimethylmorpholine-4-carboxamide?
(2R,6R)-N-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-2,6-dimethylmorpholine-4-carboxamide has a molecular weight of 341.42 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-N-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-2,6-dimethylmorpholine-4-carboxamide is sourced from PubChem (CID 95571034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).