3-amino-N-[[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]pyrazine-2-carboxamide

C19H25N5O2 — CID 51940382

IUPAC3-amino-N-[[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]pyrazine-2-carboxamide
SMILESC[C@@H]1CN(Cc2ccc(CNC(=O)c3nccnc3N)cc2)C[C@H](C)O1
InChIInChI=1S/C19H25N5O2/c1-13-10-24(11-14(2)26-13)12-16-5-3-15(4-6-16)9-23-19(25)17-18(20)22-8-7-21-17/h3-8,13-14H,9-12H2,1-2H3,(H2,20,22)(H,23,25)/t13-,14+
InChIKeyYQLIPABMYJEJPL-OKILXGFUSA-N
MW355.44 g/mol
LogP1.60
Rot. Bonds5

About 3-amino-N-[[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]pyrazine-2-carboxamide

3-amino-N-[[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]pyrazine-2-carboxamide (PubChem CID 51940382) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 3-amino-N-[[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]pyrazine-2-carboxamide
PubChem CID51940382
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name3-amino-N-[[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]pyrazine-2-carboxamide
SMILESC[C@@H]1CN(Cc2ccc(CNC(=O)c3nccnc3N)cc2)C[C@H](C)O1
InChIInChI=1S/C19H25N5O2/c1-13-10-24(11-14(2)26-13)12-16-5-3-15(4-6-16)9-23-19(25)17-18(20)22-8-7-21-17/h3-8,13-14H,9-12H2,1-2H3,(H2,20,22)(H,23,25)/t13-,14+
InChIKeyYQLIPABMYJEJPL-OKILXGFUSA-N
XLogP1.60
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-amino-N-[[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]pyrazine-2-carboxamide with MolForge

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Related Compounds

3-amino-N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]pyrazine-2-carboxamide
CID 60515210
N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-1H-pyrazole-5-carboxamide
CID 60508500
5-amino-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-methylbenzamide
CID 120641589
4-bromo-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56564776
5-chloro-N-[[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]-2-methylsulfanylpyrimidine-4-carboxamide
CID 51940380
N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2,4,5-trimethylfuran-3-carboxamide
CID 46417237
4-(dimethylamino)-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]benzamide
CID 46417014
3-amino-N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]pyrazine-2-carboxamide
CID 60517608
5-bromo-N-[[4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]pyridine-3-carboxamide
CID 51940397
N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 55637077
4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]benzamide
CID 55795528
3-amino-N-[[4-(dimethylamino)phenyl]methyl]pyrazine-2-carboxamide
CID 17452742

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]pyrazine-2-carboxamide (CID 51940382) is 3-amino-N-[[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]pyrazine-2-carboxamide is C[C@@H]1CN(Cc2ccc(CNC(=O)c3nccnc3N)cc2)C[C@H](C)O1.
What is the InChIKey of 3-amino-N-[[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]pyrazine-2-carboxamide?
The InChIKey is YQLIPABMYJEJPL-OKILXGFUSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-13-10-24(11-14(2)26-13)12-16-5-3-15(4-6-16)9-23-19(25)17-18(20)22-8-7-21-17/h3-8,13-14H,9-12H2,1-2H3,(H2,20,22)(H,23,25)/t13-,14+.
What are the key properties of 3-amino-N-[[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]pyrazine-2-carboxamide?
3-amino-N-[[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]pyrazine-2-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 51940382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).