[(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone

C13H20N4O — CID 72917680

IUPAC[(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone
SMILESCCC[C@H]1CN(C(=O)c2cnc(C)cn2)C[C@@H]1N
InChIInChI=1S/C13H20N4O/c1-3-4-10-7-17(8-11(10)14)13(18)12-6-15-9(2)5-16-12/h5-6,10-11H,3-4,7-8,14H2,1-2H3/t10-,11-/m0/s1
InChIKeyTXGYGVSWCQWJLH-QWRGUYRKSA-N
MW248.33 g/mol
LogP0.98
Rot. Bonds3

About [(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone

[(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone (PubChem CID 72917680) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is [(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone.

Molecular Properties

Compound Name[(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone
PubChem CID72917680
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name[(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone
SMILESCCC[C@H]1CN(C(=O)c2cnc(C)cn2)C[C@@H]1N
InChIInChI=1S/C13H20N4O/c1-3-4-10-7-17(8-11(10)14)13(18)12-6-15-9(2)5-16-12/h5-6,10-11H,3-4,7-8,14H2,1-2H3/t10-,11-/m0/s1
InChIKeyTXGYGVSWCQWJLH-QWRGUYRKSA-N
XLogP0.98
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-octylpyrazine-2-carboxamide
CID 1746086
Pyrazine-2-carboxylic acid [1-(1-ethylaminooxalyl-propylcarbamoyl)-3-methyl-butyl]-amide
CID 44353510
[(1R)-3-methyl-1-[[(2R)-2-(pyrazine-2-carbonylamino)pentanoyl]amino]butyl]boronic acid
CID 164611518
[(1R)-3-methyl-1-[[(2R)-2-(pyrazine-2-carbonylamino)propanoyl]amino]butyl]boronic acid
CID 164621690
N-(4-methylcyclohexyl)pyrazine-2-carboxamide
CID 1448557
[(5S)-2-(2-methylpropyl)-2,7-diazaspiro[4.5]decan-7-yl]-pyrazin-2-ylmethanone
CID 3235077
[(2R)-1-[(2S)-4-methyl-2-[[(2S)-4-methyl-2-(pyrazine-2-carbonylamino)pentanoyl]amino]pentanoyl]pyrrolidin-2-yl]boronic acid
CID 137634415
N-[(1S)-1-[[(1S,2S)-1-[[(1S)-1-(cyclohexylmethyl)-2-[[(1S)-1-ethyl-2,3-dioxo-3-pyrrolidin-1-yl-propyl]amino]-2-oxo-ethyl]carbamoyl]-2-methyl-butyl]carbamoyl]-3-methyl-butyl]pyrazine-2-carboxamide
CID 504186
(5R)-N-propan-2-yl-9-(pyrazine-2-carbonyl)-2,9-diazaspiro[4.5]decane-2-carboxamide
CID 3233303
2-methyl-1-(2-methylpropyl)-N-[(5-methylpyrazin-2-yl)methyl]pyrrolidine-2-carboxamide
CID 49778615
2-Pyrazoyl-Cha-Ile-NH2
CID 49788153
N-[2,4-dimethyl-2-(pyrazine-2-carbonylamino)pentyl]pyrazine-2-carboxamide
CID 72135220

Frequently Asked Questions

What is the IUPAC name of [(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone?
The IUPAC name of [(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone (CID 72917680) is [(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone.
What is the SMILES notation for [(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone?
The canonical SMILES for [(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone is CCC[C@H]1CN(C(=O)c2cnc(C)cn2)C[C@@H]1N.
What is the InChIKey of [(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone?
The InChIKey is TXGYGVSWCQWJLH-QWRGUYRKSA-N. The full InChI is InChI=1S/C13H20N4O/c1-3-4-10-7-17(8-11(10)14)13(18)12-6-15-9(2)5-16-12/h5-6,10-11H,3-4,7-8,14H2,1-2H3/t10-,11-/m0/s1.
What are the key properties of [(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone?
[(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone has a molecular weight of 248.33 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone is sourced from PubChem (CID 72917680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).