2-(methylamino)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]acetamide

C13H21N5O2 — CID 70761816

IUPAC2-(methylamino)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]acetamide
SMILESCNCC(=O)NCC1CCN(c2cnn(C)c(=O)c2)C1
InChIInChI=1S/C13H21N5O2/c1-14-8-12(19)15-6-10-3-4-18(9-10)11-5-13(20)17(2)16-7-11/h5,7,10,14H,3-4,6,8-9H2,1-2H3,(H,15,19)
InChIKeyPTGWXNSPWFJZGT-UHFFFAOYSA-N
MW279.34 g/mol
LogP-1.06
Rot. Bonds5

About 2-(methylamino)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]acetamide

2-(methylamino)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]acetamide (PubChem CID 70761816) has the molecular formula C13H21N5O2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-(methylamino)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(methylamino)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]acetamide
PubChem CID70761816
Molecular FormulaC13H21N5O2
Molecular Weight279.34 g/mol
Exact Mass279.17
IUPAC Name2-(methylamino)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]acetamide
SMILESCNCC(=O)NCC1CCN(c2cnn(C)c(=O)c2)C1
InChIInChI=1S/C13H21N5O2/c1-14-8-12(19)15-6-10-3-4-18(9-10)11-5-13(20)17(2)16-7-11/h5,7,10,14H,3-4,6,8-9H2,1-2H3,(H,15,19)
InChIKeyPTGWXNSPWFJZGT-UHFFFAOYSA-N
XLogP-1.06
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 5-1.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]acetamide?
The IUPAC name of 2-(methylamino)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]acetamide (CID 70761816) is 2-(methylamino)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]acetamide.
What is the SMILES notation for 2-(methylamino)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]acetamide?
The canonical SMILES for 2-(methylamino)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]acetamide is CNCC(=O)NCC1CCN(c2cnn(C)c(=O)c2)C1.
What is the InChIKey of 2-(methylamino)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]acetamide?
The InChIKey is PTGWXNSPWFJZGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2/c1-14-8-12(19)15-6-10-3-4-18(9-10)11-5-13(20)17(2)16-7-11/h5,7,10,14H,3-4,6,8-9H2,1-2H3,(H,15,19).
What are the key properties of 2-(methylamino)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]acetamide?
2-(methylamino)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]acetamide has a molecular weight of 279.34 g/mol, XLogP of -1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]acetamide is sourced from PubChem (CID 70761816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).