(2S)-N-[(3-methoxy-5-methylpyrazin-2-yl)methyl]-2-phenylpropanamide

C16H19N3O2 — CID 122652250

IUPAC(2S)-N-[(3-methoxy-5-methylpyrazin-2-yl)methyl]-2-phenylpropanamide
SMILESCOc1nc(C)cnc1CNC(=O)[C@@H](C)c1ccccc1
InChIInChI=1S/C16H19N3O2/c1-11-9-17-14(16(19-11)21-3)10-18-15(20)12(2)13-7-5-4-6-8-13/h4-9,12H,10H2,1-3H3,(H,18,20)/t12-/m0/s1
InChIKeyDZTIPAGRYXDZSG-LBPRGKRZSA-N
MW285.35 g/mol
LogP2.21
Rot. Bonds5

About (2S)-N-[(3-methoxy-5-methylpyrazin-2-yl)methyl]-2-phenylpropanamide

(2S)-N-[(3-methoxy-5-methylpyrazin-2-yl)methyl]-2-phenylpropanamide (PubChem CID 122652250) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is (2S)-N-[(3-methoxy-5-methylpyrazin-2-yl)methyl]-2-phenylpropanamide.

Molecular Properties

Compound Name(2S)-N-[(3-methoxy-5-methylpyrazin-2-yl)methyl]-2-phenylpropanamide
PubChem CID122652250
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name(2S)-N-[(3-methoxy-5-methylpyrazin-2-yl)methyl]-2-phenylpropanamide
SMILESCOc1nc(C)cnc1CNC(=O)[C@@H](C)c1ccccc1
InChIInChI=1S/C16H19N3O2/c1-11-9-17-14(16(19-11)21-3)10-18-15(20)12(2)13-7-5-4-6-8-13/h4-9,12H,10H2,1-3H3,(H,18,20)/t12-/m0/s1
InChIKeyDZTIPAGRYXDZSG-LBPRGKRZSA-N
XLogP2.21
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-methoxy-5-methylpyrazin-2-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 122652435
N-[(3-methoxy-5-methylpyrazin-2-yl)methyl]-2-methyl-2-phenylmethoxypropanamide
CID 122652304
N-benzyl-2-(4-methoxyphenyl)propanamide
CID 102432443
3-methoxy-5-methyl-2-(2-methylpropyl)pyrazine
CID 11550097
methyl 6-chloro-2-methoxy-8-[(2-phenylpropanoylamino)methyl]quinoline-3-carboxylate
CID 71077365
(2R)-N-methoxy-2-phenylpropanamide
CID 131067254
N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-phenylpropanamide
CID 53049075
(2R)-2-phenyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]propanamide
CID 99626152
(2S)-N-[[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-phenylpropanamide
CID 92903063
2-phenyl-N-prop-2-ynylpropanamide
CID 104916558
(2R)-N-[[5-(3-methoxyphenyl)isoquinolin-8-yl]methyl]-2-phenylpropanamide
CID 125465641
2-(3-aminophenyl)-N-[(5-methylpyrazin-2-yl)methyl]propanamide
CID 106591385

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(3-methoxy-5-methylpyrazin-2-yl)methyl]-2-phenylpropanamide?
The IUPAC name of (2S)-N-[(3-methoxy-5-methylpyrazin-2-yl)methyl]-2-phenylpropanamide (CID 122652250) is (2S)-N-[(3-methoxy-5-methylpyrazin-2-yl)methyl]-2-phenylpropanamide.
What is the SMILES notation for (2S)-N-[(3-methoxy-5-methylpyrazin-2-yl)methyl]-2-phenylpropanamide?
The canonical SMILES for (2S)-N-[(3-methoxy-5-methylpyrazin-2-yl)methyl]-2-phenylpropanamide is COc1nc(C)cnc1CNC(=O)[C@@H](C)c1ccccc1.
What is the InChIKey of (2S)-N-[(3-methoxy-5-methylpyrazin-2-yl)methyl]-2-phenylpropanamide?
The InChIKey is DZTIPAGRYXDZSG-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-11-9-17-14(16(19-11)21-3)10-18-15(20)12(2)13-7-5-4-6-8-13/h4-9,12H,10H2,1-3H3,(H,18,20)/t12-/m0/s1.
What are the key properties of (2S)-N-[(3-methoxy-5-methylpyrazin-2-yl)methyl]-2-phenylpropanamide?
(2S)-N-[(3-methoxy-5-methylpyrazin-2-yl)methyl]-2-phenylpropanamide has a molecular weight of 285.35 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(3-methoxy-5-methylpyrazin-2-yl)methyl]-2-phenylpropanamide is sourced from PubChem (CID 122652250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).