(2S,4S)-4-amino-N-ethyl-1-(1-methyl-2-oxo-6-propan-2-ylpyridine-3-carbonyl)pyrrolidine-2-carboxamide

C17H26N4O3 — CID 56703341

IUPAC(2S,4S)-4-amino-N-ethyl-1-(1-methyl-2-oxo-6-propan-2-ylpyridine-3-carbonyl)pyrrolidine-2-carboxamide
SMILESCCNC(=O)[C@@H]1C[C@H](N)CN1C(=O)c1ccc(C(C)C)n(C)c1=O
InChIInChI=1S/C17H26N4O3/c1-5-19-15(22)14-8-11(18)9-21(14)17(24)12-6-7-13(10(2)3)20(4)16(12)23/h6-7,10-11,14H,5,8-9,18H2,1-4H3,(H,19,22)/t11-,14-/m0/s1
InChIKeyYKDZPZPHYWCOAT-FZMZJTMJSA-N
MW334.42 g/mol
LogP0.19
Rot. Bonds4

About (2S,4S)-4-amino-N-ethyl-1-(1-methyl-2-oxo-6-propan-2-ylpyridine-3-carbonyl)pyrrolidine-2-carboxamide

(2S,4S)-4-amino-N-ethyl-1-(1-methyl-2-oxo-6-propan-2-ylpyridine-3-carbonyl)pyrrolidine-2-carboxamide (PubChem CID 56703341) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is (2S,4S)-4-amino-N-ethyl-1-(1-methyl-2-oxo-6-propan-2-ylpyridine-3-carbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-4-amino-N-ethyl-1-(1-methyl-2-oxo-6-propan-2-ylpyridine-3-carbonyl)pyrrolidine-2-carboxamide
PubChem CID56703341
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC Name(2S,4S)-4-amino-N-ethyl-1-(1-methyl-2-oxo-6-propan-2-ylpyridine-3-carbonyl)pyrrolidine-2-carboxamide
SMILESCCNC(=O)[C@@H]1C[C@H](N)CN1C(=O)c1ccc(C(C)C)n(C)c1=O
InChIInChI=1S/C17H26N4O3/c1-5-19-15(22)14-8-11(18)9-21(14)17(24)12-6-7-13(10(2)3)20(4)16(12)23/h6-7,10-11,14H,5,8-9,18H2,1-4H3,(H,19,22)/t11-,14-/m0/s1
InChIKeyYKDZPZPHYWCOAT-FZMZJTMJSA-N
XLogP0.19
TPSA97.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 50.19
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-ethyl-1-(1-methyl-2-oxo-6-propan-2-ylpyridine-3-carbonyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-4-amino-N-ethyl-1-(1-methyl-2-oxo-6-propan-2-ylpyridine-3-carbonyl)pyrrolidine-2-carboxamide (CID 56703341) is (2S,4S)-4-amino-N-ethyl-1-(1-methyl-2-oxo-6-propan-2-ylpyridine-3-carbonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-4-amino-N-ethyl-1-(1-methyl-2-oxo-6-propan-2-ylpyridine-3-carbonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-4-amino-N-ethyl-1-(1-methyl-2-oxo-6-propan-2-ylpyridine-3-carbonyl)pyrrolidine-2-carboxamide is CCNC(=O)[C@@H]1C[C@H](N)CN1C(=O)c1ccc(C(C)C)n(C)c1=O.
What is the InChIKey of (2S,4S)-4-amino-N-ethyl-1-(1-methyl-2-oxo-6-propan-2-ylpyridine-3-carbonyl)pyrrolidine-2-carboxamide?
The InChIKey is YKDZPZPHYWCOAT-FZMZJTMJSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-5-19-15(22)14-8-11(18)9-21(14)17(24)12-6-7-13(10(2)3)20(4)16(12)23/h6-7,10-11,14H,5,8-9,18H2,1-4H3,(H,19,22)/t11-,14-/m0/s1.
What are the key properties of (2S,4S)-4-amino-N-ethyl-1-(1-methyl-2-oxo-6-propan-2-ylpyridine-3-carbonyl)pyrrolidine-2-carboxamide?
(2S,4S)-4-amino-N-ethyl-1-(1-methyl-2-oxo-6-propan-2-ylpyridine-3-carbonyl)pyrrolidine-2-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 0.19, 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-ethyl-1-(1-methyl-2-oxo-6-propan-2-ylpyridine-3-carbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 56703341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).