N-[(3R,5S)-5-(diethylcarbamoyl)-1-methylpyrrolidin-3-yl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide

C17H26N4O3 — CID 72938186

IUPACN-[(3R,5S)-5-(diethylcarbamoyl)-1-methylpyrrolidin-3-yl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)c2c[nH]c(C)cc2=O)CN1C
InChIInChI=1S/C17H26N4O3/c1-5-21(6-2)17(24)14-8-12(10-20(14)4)19-16(23)13-9-18-11(3)7-15(13)22/h7,9,12,14H,5-6,8,10H2,1-4H3,(H,18,22)(H,19,23)/t12-,14+/m1/s1
InChIKeyMJHTVEGXAIREPQ-OCCSQVGLSA-N
MW334.42 g/mol
LogP0.35
Rot. Bonds5

About N-[(3R,5S)-5-(diethylcarbamoyl)-1-methylpyrrolidin-3-yl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide

N-[(3R,5S)-5-(diethylcarbamoyl)-1-methylpyrrolidin-3-yl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide (PubChem CID 72938186) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-[(3R,5S)-5-(diethylcarbamoyl)-1-methylpyrrolidin-3-yl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3R,5S)-5-(diethylcarbamoyl)-1-methylpyrrolidin-3-yl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
PubChem CID72938186
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC NameN-[(3R,5S)-5-(diethylcarbamoyl)-1-methylpyrrolidin-3-yl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)c2c[nH]c(C)cc2=O)CN1C
InChIInChI=1S/C17H26N4O3/c1-5-21(6-2)17(24)14-8-12(10-20(14)4)19-16(23)13-9-18-11(3)7-15(13)22/h7,9,12,14H,5-6,8,10H2,1-4H3,(H,18,22)(H,19,23)/t12-,14+/m1/s1
InChIKeyMJHTVEGXAIREPQ-OCCSQVGLSA-N
XLogP0.35
TPSA85.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,5S)-5-(diethylcarbamoyl)-1-methylpyrrolidin-3-yl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[(3R,5S)-5-(diethylcarbamoyl)-1-methylpyrrolidin-3-yl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide (CID 72938186) is N-[(3R,5S)-5-(diethylcarbamoyl)-1-methylpyrrolidin-3-yl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[(3R,5S)-5-(diethylcarbamoyl)-1-methylpyrrolidin-3-yl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[(3R,5S)-5-(diethylcarbamoyl)-1-methylpyrrolidin-3-yl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide is CCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)c2c[nH]c(C)cc2=O)CN1C.
What is the InChIKey of N-[(3R,5S)-5-(diethylcarbamoyl)-1-methylpyrrolidin-3-yl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide?
The InChIKey is MJHTVEGXAIREPQ-OCCSQVGLSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-5-21(6-2)17(24)14-8-12(10-20(14)4)19-16(23)13-9-18-11(3)7-15(13)22/h7,9,12,14H,5-6,8,10H2,1-4H3,(H,18,22)(H,19,23)/t12-,14+/m1/s1.
What are the key properties of N-[(3R,5S)-5-(diethylcarbamoyl)-1-methylpyrrolidin-3-yl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide?
N-[(3R,5S)-5-(diethylcarbamoyl)-1-methylpyrrolidin-3-yl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 0.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,5S)-5-(diethylcarbamoyl)-1-methylpyrrolidin-3-yl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 72938186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).