1-ethyl-4,6-dimethyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-oxopyridine-3-carboxamide

C20H27N5O3 — CID 70770052

IUPAC1-ethyl-4,6-dimethyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-oxopyridine-3-carboxamide
SMILESCCn1c(C)cc(C)c(C(=O)NCC2CCN(c3cnn(C)c(=O)c3)C2)c1=O
InChIInChI=1S/C20H27N5O3/c1-5-25-14(3)8-13(2)18(20(25)28)19(27)21-10-15-6-7-24(12-15)16-9-17(26)23(4)22-11-16/h8-9,11,15H,5-7,10,12H2,1-4H3,(H,21,27)
InChIKeyCRXITYZNFRCFDZ-UHFFFAOYSA-N
MW385.47 g/mol
LogP0.84
Rot. Bonds5

About 1-ethyl-4,6-dimethyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-oxopyridine-3-carboxamide

1-ethyl-4,6-dimethyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-oxopyridine-3-carboxamide (PubChem CID 70770052) has the molecular formula C20H27N5O3 and a molecular weight of 385.47 g/mol. Its IUPAC name is 1-ethyl-4,6-dimethyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-4,6-dimethyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-oxopyridine-3-carboxamide
PubChem CID70770052
Molecular FormulaC20H27N5O3
Molecular Weight385.47 g/mol
Exact Mass385.21
IUPAC Name1-ethyl-4,6-dimethyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-oxopyridine-3-carboxamide
SMILESCCn1c(C)cc(C)c(C(=O)NCC2CCN(c3cnn(C)c(=O)c3)C2)c1=O
InChIInChI=1S/C20H27N5O3/c1-5-25-14(3)8-13(2)18(20(25)28)19(27)21-10-15-6-7-24(12-15)16-9-17(26)23(4)22-11-16/h8-9,11,15H,5-7,10,12H2,1-4H3,(H,21,27)
InChIKeyCRXITYZNFRCFDZ-UHFFFAOYSA-N
XLogP0.84
TPSA89.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4,6-dimethyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-oxopyridine-3-carboxamide?
The IUPAC name of 1-ethyl-4,6-dimethyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-oxopyridine-3-carboxamide (CID 70770052) is 1-ethyl-4,6-dimethyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-ethyl-4,6-dimethyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-oxopyridine-3-carboxamide?
The canonical SMILES for 1-ethyl-4,6-dimethyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-oxopyridine-3-carboxamide is CCn1c(C)cc(C)c(C(=O)NCC2CCN(c3cnn(C)c(=O)c3)C2)c1=O.
What is the InChIKey of 1-ethyl-4,6-dimethyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-oxopyridine-3-carboxamide?
The InChIKey is CRXITYZNFRCFDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O3/c1-5-25-14(3)8-13(2)18(20(25)28)19(27)21-10-15-6-7-24(12-15)16-9-17(26)23(4)22-11-16/h8-9,11,15H,5-7,10,12H2,1-4H3,(H,21,27).
What are the key properties of 1-ethyl-4,6-dimethyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-oxopyridine-3-carboxamide?
1-ethyl-4,6-dimethyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-oxopyridine-3-carboxamide has a molecular weight of 385.47 g/mol, XLogP of 0.84, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4,6-dimethyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 70770052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).