(2S,4S)-4-amino-N,N-diethyl-1-(6-oxo-1H-pyrazine-3-carbonyl)pyrrolidine-2-carboxamide

C14H21N5O3 — CID 56704197

IUPAC(2S,4S)-4-amino-N,N-diethyl-1-(6-oxo-1H-pyrazine-3-carbonyl)pyrrolidine-2-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1C[C@H](N)CN1C(=O)c1c[nH]c(=O)cn1
InChIInChI=1S/C14H21N5O3/c1-3-18(4-2)14(22)11-5-9(15)8-19(11)13(21)10-6-17-12(20)7-16-10/h6-7,9,11H,3-5,8,15H2,1-2H3,(H,17,20)/t9-,11-/m0/s1
InChIKeySOMXWVSLLXGMOC-ONGXEEELSA-N
MW307.35 g/mol
LogP-0.82
Rot. Bonds4

About (2S,4S)-4-amino-N,N-diethyl-1-(6-oxo-1H-pyrazine-3-carbonyl)pyrrolidine-2-carboxamide

(2S,4S)-4-amino-N,N-diethyl-1-(6-oxo-1H-pyrazine-3-carbonyl)pyrrolidine-2-carboxamide (PubChem CID 56704197) has the molecular formula C14H21N5O3 and a molecular weight of 307.35 g/mol. Its IUPAC name is (2S,4S)-4-amino-N,N-diethyl-1-(6-oxo-1H-pyrazine-3-carbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-4-amino-N,N-diethyl-1-(6-oxo-1H-pyrazine-3-carbonyl)pyrrolidine-2-carboxamide
PubChem CID56704197
Molecular FormulaC14H21N5O3
Molecular Weight307.35 g/mol
Exact Mass307.16
IUPAC Name(2S,4S)-4-amino-N,N-diethyl-1-(6-oxo-1H-pyrazine-3-carbonyl)pyrrolidine-2-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1C[C@H](N)CN1C(=O)c1c[nH]c(=O)cn1
InChIInChI=1S/C14H21N5O3/c1-3-18(4-2)14(22)11-5-9(15)8-19(11)13(21)10-6-17-12(20)7-16-10/h6-7,9,11H,3-5,8,15H2,1-2H3,(H,17,20)/t9-,11-/m0/s1
InChIKeySOMXWVSLLXGMOC-ONGXEEELSA-N
XLogP-0.82
TPSA112.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 5-0.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-amino-N,N-diethyl-1-(6-oxo-1H-pyrazine-3-carbonyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-4-amino-N,N-diethyl-1-(6-oxo-1H-pyrazine-3-carbonyl)pyrrolidine-2-carboxamide (CID 56704197) is (2S,4S)-4-amino-N,N-diethyl-1-(6-oxo-1H-pyrazine-3-carbonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-4-amino-N,N-diethyl-1-(6-oxo-1H-pyrazine-3-carbonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-4-amino-N,N-diethyl-1-(6-oxo-1H-pyrazine-3-carbonyl)pyrrolidine-2-carboxamide is CCN(CC)C(=O)[C@@H]1C[C@H](N)CN1C(=O)c1c[nH]c(=O)cn1.
What is the InChIKey of (2S,4S)-4-amino-N,N-diethyl-1-(6-oxo-1H-pyrazine-3-carbonyl)pyrrolidine-2-carboxamide?
The InChIKey is SOMXWVSLLXGMOC-ONGXEEELSA-N. The full InChI is InChI=1S/C14H21N5O3/c1-3-18(4-2)14(22)11-5-9(15)8-19(11)13(21)10-6-17-12(20)7-16-10/h6-7,9,11H,3-5,8,15H2,1-2H3,(H,17,20)/t9-,11-/m0/s1.
What are the key properties of (2S,4S)-4-amino-N,N-diethyl-1-(6-oxo-1H-pyrazine-3-carbonyl)pyrrolidine-2-carboxamide?
(2S,4S)-4-amino-N,N-diethyl-1-(6-oxo-1H-pyrazine-3-carbonyl)pyrrolidine-2-carboxamide has a molecular weight of 307.35 g/mol, XLogP of -0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-amino-N,N-diethyl-1-(6-oxo-1H-pyrazine-3-carbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 56704197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).