N-[(3R,5S)-1-acetyl-5-(diethylcarbamoyl)pyrrolidin-3-yl]-1-ethyl-2-oxopyridine-4-carboxamide

C19H28N4O4 — CID 72857517

IUPACN-[(3R,5S)-1-acetyl-5-(diethylcarbamoyl)pyrrolidin-3-yl]-1-ethyl-2-oxopyridine-4-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)c2ccn(CC)c(=O)c2)CN1C(C)=O
InChIInChI=1S/C19H28N4O4/c1-5-21(6-2)19(27)16-11-15(12-23(16)13(4)24)20-18(26)14-8-9-22(7-3)17(25)10-14/h8-10,15-16H,5-7,11-12H2,1-4H3,(H,20,26)/t15-,16+/m1/s1
InChIKeyWXSKPTSLCWCSDY-CVEARBPZSA-N
MW376.46 g/mol
LogP0.46
Rot. Bonds6

About N-[(3R,5S)-1-acetyl-5-(diethylcarbamoyl)pyrrolidin-3-yl]-1-ethyl-2-oxopyridine-4-carboxamide

N-[(3R,5S)-1-acetyl-5-(diethylcarbamoyl)pyrrolidin-3-yl]-1-ethyl-2-oxopyridine-4-carboxamide (PubChem CID 72857517) has the molecular formula C19H28N4O4 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-[(3R,5S)-1-acetyl-5-(diethylcarbamoyl)pyrrolidin-3-yl]-1-ethyl-2-oxopyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(3R,5S)-1-acetyl-5-(diethylcarbamoyl)pyrrolidin-3-yl]-1-ethyl-2-oxopyridine-4-carboxamide
PubChem CID72857517
Molecular FormulaC19H28N4O4
Molecular Weight376.46 g/mol
Exact Mass376.21
IUPAC NameN-[(3R,5S)-1-acetyl-5-(diethylcarbamoyl)pyrrolidin-3-yl]-1-ethyl-2-oxopyridine-4-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)c2ccn(CC)c(=O)c2)CN1C(C)=O
InChIInChI=1S/C19H28N4O4/c1-5-21(6-2)19(27)16-11-15(12-23(16)13(4)24)20-18(26)14-8-9-22(7-3)17(25)10-14/h8-10,15-16H,5-7,11-12H2,1-4H3,(H,20,26)/t15-,16+/m1/s1
InChIKeyWXSKPTSLCWCSDY-CVEARBPZSA-N
XLogP0.46
TPSA91.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,5S)-1-acetyl-5-(diethylcarbamoyl)pyrrolidin-3-yl]-1-ethyl-2-oxopyridine-4-carboxamide?
The IUPAC name of N-[(3R,5S)-1-acetyl-5-(diethylcarbamoyl)pyrrolidin-3-yl]-1-ethyl-2-oxopyridine-4-carboxamide (CID 72857517) is N-[(3R,5S)-1-acetyl-5-(diethylcarbamoyl)pyrrolidin-3-yl]-1-ethyl-2-oxopyridine-4-carboxamide.
What is the SMILES notation for N-[(3R,5S)-1-acetyl-5-(diethylcarbamoyl)pyrrolidin-3-yl]-1-ethyl-2-oxopyridine-4-carboxamide?
The canonical SMILES for N-[(3R,5S)-1-acetyl-5-(diethylcarbamoyl)pyrrolidin-3-yl]-1-ethyl-2-oxopyridine-4-carboxamide is CCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)c2ccn(CC)c(=O)c2)CN1C(C)=O.
What is the InChIKey of N-[(3R,5S)-1-acetyl-5-(diethylcarbamoyl)pyrrolidin-3-yl]-1-ethyl-2-oxopyridine-4-carboxamide?
The InChIKey is WXSKPTSLCWCSDY-CVEARBPZSA-N. The full InChI is InChI=1S/C19H28N4O4/c1-5-21(6-2)19(27)16-11-15(12-23(16)13(4)24)20-18(26)14-8-9-22(7-3)17(25)10-14/h8-10,15-16H,5-7,11-12H2,1-4H3,(H,20,26)/t15-,16+/m1/s1.
What are the key properties of N-[(3R,5S)-1-acetyl-5-(diethylcarbamoyl)pyrrolidin-3-yl]-1-ethyl-2-oxopyridine-4-carboxamide?
N-[(3R,5S)-1-acetyl-5-(diethylcarbamoyl)pyrrolidin-3-yl]-1-ethyl-2-oxopyridine-4-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 0.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,5S)-1-acetyl-5-(diethylcarbamoyl)pyrrolidin-3-yl]-1-ethyl-2-oxopyridine-4-carboxamide is sourced from PubChem (CID 72857517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).