3-amino-N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]pyrazine-2-carboxamide

C17H21N5O — CID 32929129

IUPAC3-amino-N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]pyrazine-2-carboxamide
SMILESC[C@@H](CNC(=O)c1nccnc1N)N1CCc2ccccc2C1
InChIInChI=1S/C17H21N5O/c1-12(10-21-17(23)15-16(18)20-8-7-19-15)22-9-6-13-4-2-3-5-14(13)11-22/h2-5,7-8,12H,6,9-11H2,1H3,(H2,18,20)(H,21,23)/t12-/m0/s1
InChIKeyFGQSCEVOCRPGCC-LBPRGKRZSA-N
MW311.39 g/mol
LogP1.24
Rot. Bonds4

About 3-amino-N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]pyrazine-2-carboxamide

3-amino-N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]pyrazine-2-carboxamide (PubChem CID 32929129) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is 3-amino-N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]pyrazine-2-carboxamide
PubChem CID32929129
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC Name3-amino-N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]pyrazine-2-carboxamide
SMILESC[C@@H](CNC(=O)c1nccnc1N)N1CCc2ccccc2C1
InChIInChI=1S/C17H21N5O/c1-12(10-21-17(23)15-16(18)20-8-7-19-15)22-9-6-13-4-2-3-5-14(13)11-22/h2-5,7-8,12H,6,9-11H2,1H3,(H2,18,20)(H,21,23)/t12-/m0/s1
InChIKeyFGQSCEVOCRPGCC-LBPRGKRZSA-N
XLogP1.24
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-methylpropanamide
CID 47163208
N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 32919875
N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-4-fluorobenzamide
CID 32923012
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-5-methyl-1H-indazole-3-carboxamide
CID 78866195
N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-1-methylpyrrole-2-carboxamide
CID 51727801
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]cyclopropanecarboxamide
CID 47163209
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 86926725
N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-(methoxymethyl)benzamide
CID 36886538
N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2,5-dimethylfuran-3-carboxamide
CID 32924591
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-hydroxy-2-phenylacetamide
CID 111464478
N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3,3,3-trifluoropropanamide
CID 94054122
N-[3-[[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]amino]-3-oxopropyl]-3-methylbutanamide
CID 96508429

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]pyrazine-2-carboxamide (CID 32929129) is 3-amino-N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]pyrazine-2-carboxamide is C[C@@H](CNC(=O)c1nccnc1N)N1CCc2ccccc2C1.
What is the InChIKey of 3-amino-N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]pyrazine-2-carboxamide?
The InChIKey is FGQSCEVOCRPGCC-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H21N5O/c1-12(10-21-17(23)15-16(18)20-8-7-19-15)22-9-6-13-4-2-3-5-14(13)11-22/h2-5,7-8,12H,6,9-11H2,1H3,(H2,18,20)(H,21,23)/t12-/m0/s1.
What are the key properties of 3-amino-N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]pyrazine-2-carboxamide?
3-amino-N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]pyrazine-2-carboxamide has a molecular weight of 311.39 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]pyrazine-2-carboxamide is sourced from PubChem (CID 32929129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).