(2S,6R)-N-[4-(5-amino-4-cyanopyrazol-1-yl)phenyl]-2,6-dimethylmorpholine-4-carboxamide

C17H20N6O2 — CID 95286089

IUPAC(2S,6R)-N-[4-(5-amino-4-cyanopyrazol-1-yl)phenyl]-2,6-dimethylmorpholine-4-carboxamide
SMILESC[C@@H]1CN(C(=O)Nc2ccc(-n3ncc(C#N)c3N)cc2)C[C@H](C)O1
InChIInChI=1S/C17H20N6O2/c1-11-9-22(10-12(2)25-11)17(24)21-14-3-5-15(6-4-14)23-16(19)13(7-18)8-20-23/h3-6,8,11-12H,9-10,19H2,1-2H3,(H,21,24)/t11-,12+
InChIKeyBGYOSBNTEJHAEI-TXEJJXNPSA-N
MW340.39 g/mol
LogP1.97
Rot. Bonds2

About (2S,6R)-N-[4-(5-amino-4-cyanopyrazol-1-yl)phenyl]-2,6-dimethylmorpholine-4-carboxamide

(2S,6R)-N-[4-(5-amino-4-cyanopyrazol-1-yl)phenyl]-2,6-dimethylmorpholine-4-carboxamide (PubChem CID 95286089) has the molecular formula C17H20N6O2 and a molecular weight of 340.39 g/mol. Its IUPAC name is (2S,6R)-N-[4-(5-amino-4-cyanopyrazol-1-yl)phenyl]-2,6-dimethylmorpholine-4-carboxamide.

Molecular Properties

Compound Name(2S,6R)-N-[4-(5-amino-4-cyanopyrazol-1-yl)phenyl]-2,6-dimethylmorpholine-4-carboxamide
PubChem CID95286089
Molecular FormulaC17H20N6O2
Molecular Weight340.39 g/mol
Exact Mass340.16
IUPAC Name(2S,6R)-N-[4-(5-amino-4-cyanopyrazol-1-yl)phenyl]-2,6-dimethylmorpholine-4-carboxamide
SMILESC[C@@H]1CN(C(=O)Nc2ccc(-n3ncc(C#N)c3N)cc2)C[C@H](C)O1
InChIInChI=1S/C17H20N6O2/c1-11-9-22(10-12(2)25-11)17(24)21-14-3-5-15(6-4-14)23-16(19)13(7-18)8-20-23/h3-6,8,11-12H,9-10,19H2,1-2H3,(H,21,24)/t11-,12+
InChIKeyBGYOSBNTEJHAEI-TXEJJXNPSA-N
XLogP1.97
TPSA109.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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
N-[4-(2-cyanophenoxy)phenyl]-2,6-dimethylmorpholine-4-carboxamide
CID 60577589
4-(5-amino-4-cyanopyrazol-1-yl)benzoic acid
CID 2451195
(2R)-N-[4-(5-amino-4-cyanopyrazol-1-yl)phenyl]-2-ethoxybutanamide
CID 94667597
N-[4-(5-amino-4-cyanopyrazol-1-yl)phenyl]-2-(2-methylpropoxy)propanamide
CID 51088181
(2S,6R)-2,6-dimethyl-N-phenylmorpholine-4-carboxamide
CID 42545481
(2S,6S)-2,6-dimethyl-N-phenylmorpholine-4-carboxamide
CID 41097584
(2R)-N-[4-(5-amino-4-cyanopyrazol-1-yl)phenyl]-1-prop-2-ynylpiperidine-2-carboxamide
CID 94805971
ethyl 4-[[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]amino]benzoate
CID 971488
(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-(3,4-dichlorophenyl)-2,6-dimethylmorpholine-4-carboxamide
CID 726111
4-(5-amino-4-cyanopyrazol-1-yl)-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]benzamide
CID 95168441

Frequently Asked Questions

What is the IUPAC name of (2S,6R)-N-[4-(5-amino-4-cyanopyrazol-1-yl)phenyl]-2,6-dimethylmorpholine-4-carboxamide?
The IUPAC name of (2S,6R)-N-[4-(5-amino-4-cyanopyrazol-1-yl)phenyl]-2,6-dimethylmorpholine-4-carboxamide (CID 95286089) is (2S,6R)-N-[4-(5-amino-4-cyanopyrazol-1-yl)phenyl]-2,6-dimethylmorpholine-4-carboxamide.
What is the SMILES notation for (2S,6R)-N-[4-(5-amino-4-cyanopyrazol-1-yl)phenyl]-2,6-dimethylmorpholine-4-carboxamide?
The canonical SMILES for (2S,6R)-N-[4-(5-amino-4-cyanopyrazol-1-yl)phenyl]-2,6-dimethylmorpholine-4-carboxamide is C[C@@H]1CN(C(=O)Nc2ccc(-n3ncc(C#N)c3N)cc2)C[C@H](C)O1.
What is the InChIKey of (2S,6R)-N-[4-(5-amino-4-cyanopyrazol-1-yl)phenyl]-2,6-dimethylmorpholine-4-carboxamide?
The InChIKey is BGYOSBNTEJHAEI-TXEJJXNPSA-N. The full InChI is InChI=1S/C17H20N6O2/c1-11-9-22(10-12(2)25-11)17(24)21-14-3-5-15(6-4-14)23-16(19)13(7-18)8-20-23/h3-6,8,11-12H,9-10,19H2,1-2H3,(H,21,24)/t11-,12+.
What are the key properties of (2S,6R)-N-[4-(5-amino-4-cyanopyrazol-1-yl)phenyl]-2,6-dimethylmorpholine-4-carboxamide?
(2S,6R)-N-[4-(5-amino-4-cyanopyrazol-1-yl)phenyl]-2,6-dimethylmorpholine-4-carboxamide has a molecular weight of 340.39 g/mol, XLogP of 1.97, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-N-[4-(5-amino-4-cyanopyrazol-1-yl)phenyl]-2,6-dimethylmorpholine-4-carboxamide is sourced from PubChem (CID 95286089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).