3-amino-N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]pyrazine-2-carboxamide

C20H27N5O — CID 60517608

IUPAC3-amino-N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]pyrazine-2-carboxamide
SMILESCC1CC(C)CN(Cc2ccccc2CNC(=O)c2nccnc2N)C1
InChIInChI=1S/C20H27N5O/c1-14-9-15(2)12-25(11-14)13-17-6-4-3-5-16(17)10-24-20(26)18-19(21)23-8-7-22-18/h3-8,14-15H,9-13H2,1-2H3,(H2,21,23)(H,24,26)
InChIKeyHBYJMVMGJNLUFB-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.47
Rot. Bonds5

About 3-amino-N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]pyrazine-2-carboxamide

3-amino-N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]pyrazine-2-carboxamide (PubChem CID 60517608) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is 3-amino-N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]pyrazine-2-carboxamide
PubChem CID60517608
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC Name3-amino-N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]pyrazine-2-carboxamide
SMILESCC1CC(C)CN(Cc2ccccc2CNC(=O)c2nccnc2N)C1
InChIInChI=1S/C20H27N5O/c1-14-9-15(2)12-25(11-14)13-17-6-4-3-5-16(17)10-24-20(26)18-19(21)23-8-7-22-18/h3-8,14-15H,9-13H2,1-2H3,(H2,21,23)(H,24,26)
InChIKeyHBYJMVMGJNLUFB-UHFFFAOYSA-N
XLogP2.47
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]pyrazine-2-carboxamide
CID 60515210
N-[2-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]-2-phenylacetamide
CID 55847080
3-amino-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]pyrazine-2-carboxamide
CID 60574444
3-amino-N-[[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]pyrazine-2-carboxamide
CID 51940382
N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 47043186
5-N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide
CID 86891548
N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-4-(pyridin-4-ylsulfamoyl)benzamide
CID 60517834
2-[acetyl(methyl)amino]-N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]acetamide
CID 47043225
(2S)-2-acetamido-N-[[2-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]methyl]-3-methylbutanamide
CID 124733535
2-amino-N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-2-(oxan-4-yl)acetamide
CID 120798074
N-[2-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 60517749
N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide
CID 55746930

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]pyrazine-2-carboxamide (CID 60517608) is 3-amino-N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]pyrazine-2-carboxamide is CC1CC(C)CN(Cc2ccccc2CNC(=O)c2nccnc2N)C1.
What is the InChIKey of 3-amino-N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]pyrazine-2-carboxamide?
The InChIKey is HBYJMVMGJNLUFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O/c1-14-9-15(2)12-25(11-14)13-17-6-4-3-5-16(17)10-24-20(26)18-19(21)23-8-7-22-18/h3-8,14-15H,9-13H2,1-2H3,(H2,21,23)(H,24,26).
What are the key properties of 3-amino-N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]pyrazine-2-carboxamide?
3-amino-N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]pyrazine-2-carboxamide has a molecular weight of 353.47 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 60517608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).