N,2-diethyl-1-[(1-ethylpyrrolidin-2-yl)methyl]-6-methyl-4-oxopyridine-3-carboxamide

C18H29N3O2 — CID 45182859

IUPACN,2-diethyl-1-[(1-ethylpyrrolidin-2-yl)methyl]-6-methyl-4-oxopyridine-3-carboxamide
SMILESCCNC(=O)c1c(CC)n(CC2CCCN2CC)c(C)cc1=O
InChIInChI=1S/C18H29N3O2/c1-5-15-17(18(23)19-6-2)16(22)11-13(4)21(15)12-14-9-8-10-20(14)7-3/h11,14H,5-10,12H2,1-4H3,(H,19,23)
InChIKeyNBPRSHWYMNTVLT-UHFFFAOYSA-N
MW319.45 g/mol
LogP1.95
Rot. Bonds6

About N,2-diethyl-1-[(1-ethylpyrrolidin-2-yl)methyl]-6-methyl-4-oxopyridine-3-carboxamide

N,2-diethyl-1-[(1-ethylpyrrolidin-2-yl)methyl]-6-methyl-4-oxopyridine-3-carboxamide (PubChem CID 45182859) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is N,2-diethyl-1-[(1-ethylpyrrolidin-2-yl)methyl]-6-methyl-4-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN,2-diethyl-1-[(1-ethylpyrrolidin-2-yl)methyl]-6-methyl-4-oxopyridine-3-carboxamide
PubChem CID45182859
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC NameN,2-diethyl-1-[(1-ethylpyrrolidin-2-yl)methyl]-6-methyl-4-oxopyridine-3-carboxamide
SMILESCCNC(=O)c1c(CC)n(CC2CCCN2CC)c(C)cc1=O
InChIInChI=1S/C18H29N3O2/c1-5-15-17(18(23)19-6-2)16(22)11-13(4)21(15)12-14-9-8-10-20(14)7-3/h11,14H,5-10,12H2,1-4H3,(H,19,23)
InChIKeyNBPRSHWYMNTVLT-UHFFFAOYSA-N
XLogP1.95
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,2-diethyl-1-[(1-ethylpyrrolidin-2-yl)methyl]-6-methyl-4-oxopyridine-3-carboxamide?
The IUPAC name of N,2-diethyl-1-[(1-ethylpyrrolidin-2-yl)methyl]-6-methyl-4-oxopyridine-3-carboxamide (CID 45182859) is N,2-diethyl-1-[(1-ethylpyrrolidin-2-yl)methyl]-6-methyl-4-oxopyridine-3-carboxamide.
What is the SMILES notation for N,2-diethyl-1-[(1-ethylpyrrolidin-2-yl)methyl]-6-methyl-4-oxopyridine-3-carboxamide?
The canonical SMILES for N,2-diethyl-1-[(1-ethylpyrrolidin-2-yl)methyl]-6-methyl-4-oxopyridine-3-carboxamide is CCNC(=O)c1c(CC)n(CC2CCCN2CC)c(C)cc1=O.
What is the InChIKey of N,2-diethyl-1-[(1-ethylpyrrolidin-2-yl)methyl]-6-methyl-4-oxopyridine-3-carboxamide?
The InChIKey is NBPRSHWYMNTVLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-5-15-17(18(23)19-6-2)16(22)11-13(4)21(15)12-14-9-8-10-20(14)7-3/h11,14H,5-10,12H2,1-4H3,(H,19,23).
What are the key properties of N,2-diethyl-1-[(1-ethylpyrrolidin-2-yl)methyl]-6-methyl-4-oxopyridine-3-carboxamide?
N,2-diethyl-1-[(1-ethylpyrrolidin-2-yl)methyl]-6-methyl-4-oxopyridine-3-carboxamide has a molecular weight of 319.45 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diethyl-1-[(1-ethylpyrrolidin-2-yl)methyl]-6-methyl-4-oxopyridine-3-carboxamide is sourced from PubChem (CID 45182859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).