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

C15H22N4O3 — CID 56703508

IUPAC(2S,4S)-4-amino-N,N-diethyl-1-(6-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1C[C@H](N)CN1C(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C15H22N4O3/c1-3-18(4-2)15(22)12-7-11(16)9-19(12)14(21)10-5-6-13(20)17-8-10/h5-6,8,11-12H,3-4,7,9,16H2,1-2H3,(H,17,20)/t11-,12-/m0/s1
InChIKeyNXRPDXCSZGWXTB-RYUDHWBXSA-N
MW306.37 g/mol
LogP-0.21
Rot. Bonds4

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

(2S,4S)-4-amino-N,N-diethyl-1-(6-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxamide (PubChem CID 56703508) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is (2S,4S)-4-amino-N,N-diethyl-1-(6-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-4-amino-N,N-diethyl-1-(6-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxamide
PubChem CID56703508
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC Name(2S,4S)-4-amino-N,N-diethyl-1-(6-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1C[C@H](N)CN1C(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C15H22N4O3/c1-3-18(4-2)15(22)12-7-11(16)9-19(12)14(21)10-5-6-13(20)17-8-10/h5-6,8,11-12H,3-4,7,9,16H2,1-2H3,(H,17,20)/t11-,12-/m0/s1
InChIKeyNXRPDXCSZGWXTB-RYUDHWBXSA-N
XLogP-0.21
TPSA99.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-amino-N,N-diethyl-1-(6-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-4-amino-N,N-diethyl-1-(6-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxamide (CID 56703508) is (2S,4S)-4-amino-N,N-diethyl-1-(6-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-4-amino-N,N-diethyl-1-(6-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-4-amino-N,N-diethyl-1-(6-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxamide is CCN(CC)C(=O)[C@@H]1C[C@H](N)CN1C(=O)c1ccc(=O)[nH]c1.
What is the InChIKey of (2S,4S)-4-amino-N,N-diethyl-1-(6-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxamide?
The InChIKey is NXRPDXCSZGWXTB-RYUDHWBXSA-N. The full InChI is InChI=1S/C15H22N4O3/c1-3-18(4-2)15(22)12-7-11(16)9-19(12)14(21)10-5-6-13(20)17-8-10/h5-6,8,11-12H,3-4,7,9,16H2,1-2H3,(H,17,20)/t11-,12-/m0/s1.
What are the key properties of (2S,4S)-4-amino-N,N-diethyl-1-(6-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxamide?
(2S,4S)-4-amino-N,N-diethyl-1-(6-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxamide has a molecular weight of 306.37 g/mol, XLogP of -0.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-amino-N,N-diethyl-1-(6-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 56703508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).