(2S,6S)-2,6-dimethyl-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]morpholine-4-carboxamide

C16H21N5O2 — CID 95571020

IUPAC(2S,6S)-2,6-dimethyl-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]morpholine-4-carboxamide
SMILESCc1nc(-c2ccc(NC(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)n[nH]1
InChIInChI=1S/C16H21N5O2/c1-10-8-21(9-11(2)23-10)16(22)18-14-6-4-13(5-7-14)15-17-12(3)19-20-15/h4-7,10-11H,8-9H2,1-3H3,(H,18,22)(H,17,19,20)/t10-,11-/m0/s1
InChIKeyZJTIZWRYHNCZAW-QWRGUYRKSA-N
MW315.38 g/mol
LogP2.42
Rot. Bonds2

About (2S,6S)-2,6-dimethyl-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]morpholine-4-carboxamide

(2S,6S)-2,6-dimethyl-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]morpholine-4-carboxamide (PubChem CID 95571020) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is (2S,6S)-2,6-dimethyl-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]morpholine-4-carboxamide.

Molecular Properties

Compound Name(2S,6S)-2,6-dimethyl-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]morpholine-4-carboxamide
PubChem CID95571020
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Name(2S,6S)-2,6-dimethyl-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]morpholine-4-carboxamide
SMILESCc1nc(-c2ccc(NC(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)n[nH]1
InChIInChI=1S/C16H21N5O2/c1-10-8-21(9-11(2)23-10)16(22)18-14-6-4-13(5-7-14)15-17-12(3)19-20-15/h4-7,10-11H,8-9H2,1-3H3,(H,18,22)(H,17,19,20)/t10-,11-/m0/s1
InChIKeyZJTIZWRYHNCZAW-QWRGUYRKSA-N
XLogP2.42
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S,6S)-2,6-dimethyl-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]morpholine-4-carboxamide with MolForge

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Related Compounds

(2R,6S)-N-[4-[[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]amino]phenyl]-2,6-dimethylmorpholine-4-carboxamide
CID 51983955
(2R,6R)-N-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-2,6-dimethylmorpholine-4-carboxamide
CID 95571034
2,6-dimethyl-N-[4-(thiadiazol-4-yl)phenyl]morpholine-4-carboxamide
CID 60577463
(2S,6S)-2,6-dimethyl-N-phenylmorpholine-4-carboxamide
CID 41097584
(2S,6R)-2,6-dimethyl-N-phenylmorpholine-4-carboxamide
CID 42545481
ethyl 4-[[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]amino]benzoate
CID 971488
N-(3,4-dimethylphenyl)-2,6-dimethylmorpholine-4-carboxamide
CID 4570981
cis-(1S,2R)-2-[[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 166288343
N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-4-pyridin-3-yloxypiperidine-1-carboxamide
CID 72930379
(2S,6S)-N-(3,4-dichlorophenyl)-2,6-dimethylmorpholine-4-carboxamide
CID 726111
2-(4-ethylpiperazin-1-yl)-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide
CID 131930825
4-[4-[4-[(2,6-dimethylmorpholine-4-carbonyl)amino]phenyl]phenyl]-2,2-dimethyl-4-oxobutanoic acid
CID 70987635

Frequently Asked Questions

What is the IUPAC name of (2S,6S)-2,6-dimethyl-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]morpholine-4-carboxamide?
The IUPAC name of (2S,6S)-2,6-dimethyl-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]morpholine-4-carboxamide (CID 95571020) is (2S,6S)-2,6-dimethyl-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]morpholine-4-carboxamide.
What is the SMILES notation for (2S,6S)-2,6-dimethyl-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]morpholine-4-carboxamide?
The canonical SMILES for (2S,6S)-2,6-dimethyl-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]morpholine-4-carboxamide is Cc1nc(-c2ccc(NC(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)n[nH]1.
What is the InChIKey of (2S,6S)-2,6-dimethyl-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]morpholine-4-carboxamide?
The InChIKey is ZJTIZWRYHNCZAW-QWRGUYRKSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-10-8-21(9-11(2)23-10)16(22)18-14-6-4-13(5-7-14)15-17-12(3)19-20-15/h4-7,10-11H,8-9H2,1-3H3,(H,18,22)(H,17,19,20)/t10-,11-/m0/s1.
What are the key properties of (2S,6S)-2,6-dimethyl-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]morpholine-4-carboxamide?
(2S,6S)-2,6-dimethyl-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]morpholine-4-carboxamide has a molecular weight of 315.38 g/mol, XLogP of 2.42, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-2,6-dimethyl-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]morpholine-4-carboxamide is sourced from PubChem (CID 95571020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).