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

C15H25N5O2 — CID 70704758

IUPAC2-[ethyl(methyl)amino]-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]acetamide
SMILESCCN(C)CC(=O)NCC1CCN(c2cnn(C)c(=O)c2)C1
InChIInChI=1S/C15H25N5O2/c1-4-18(2)11-14(21)16-8-12-5-6-20(10-12)13-7-15(22)19(3)17-9-13/h7,9,12H,4-6,8,10-11H2,1-3H3,(H,16,21)
InChIKeyMPTFODPEMGHILP-UHFFFAOYSA-N
MW307.40 g/mol
LogP-0.33
Rot. Bonds6

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

2-[ethyl(methyl)amino]-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]acetamide (PubChem CID 70704758) has the molecular formula C15H25N5O2 and a molecular weight of 307.40 g/mol. Its IUPAC name is 2-[ethyl(methyl)amino]-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]acetamide.

Molecular Properties

Compound Name2-[ethyl(methyl)amino]-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]acetamide
PubChem CID70704758
Molecular FormulaC15H25N5O2
Molecular Weight307.40 g/mol
Exact Mass307.20
IUPAC Name2-[ethyl(methyl)amino]-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]acetamide
SMILESCCN(C)CC(=O)NCC1CCN(c2cnn(C)c(=O)c2)C1
InChIInChI=1S/C15H25N5O2/c1-4-18(2)11-14(21)16-8-12-5-6-20(10-12)13-7-15(22)19(3)17-9-13/h7,9,12H,4-6,8,10-11H2,1-3H3,(H,16,21)
InChIKeyMPTFODPEMGHILP-UHFFFAOYSA-N
XLogP-0.33
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-N-[2-({[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-4-piperidinyl]methyl}amino)-2-oxoethyl]propanamide
CID 70755053
1-isopropyl-N-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-4-piperidinyl]methyl}-L-prolinamide
CID 70780050
N-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-3-pyrrolidinyl]methyl}-2-(4-morpholinyl)acetamide
CID 70715217
N-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-3-pyrrolidinyl]methyl}-3-(2-oxo-1-pyrrolidinyl)propanamide
CID 70721532
N-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-3-pyrrolidinyl]methyl}-2-(2-oxo-1-pyrrolidinyl)acetamide
CID 70733059
N~2~-methyl-N~1~-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-3-pyrrolidinyl]methyl}-N~2~-4-piperidinylglycinamide
CID 70750771
N-ethyl-N-methyl-N'-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-3-pyrrolidinyl]methyl}sulfamide
CID 70768852
1-(6-Oxo-1,6-dihydropyridazin-4-YL)-N-(pentan-3-YL)pyrrolidine-3-carboxamide
CID 91909551
N-[3-[bis(2-methylpropyl)amino]propyl]-1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidine-3-carboxamide
CID 91920262
2-(Dimethylamino)-N-[1-(1-ethyl-6-oxo-1,6-dihydropyridazin-4-YL)piperidin-4-YL]acetamide
CID 91924057
N-(cyclopropylmethyl)-1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidine-3-carboxamide
CID 110196819
N~2~-methyl-N~1~-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-3-pyrrolidinyl]methyl}glycinamide
CID 70761816

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(methyl)amino]-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]acetamide?
The IUPAC name of 2-[ethyl(methyl)amino]-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]acetamide (CID 70704758) is 2-[ethyl(methyl)amino]-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]acetamide.
What is the SMILES notation for 2-[ethyl(methyl)amino]-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]acetamide?
The canonical SMILES for 2-[ethyl(methyl)amino]-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]acetamide is CCN(C)CC(=O)NCC1CCN(c2cnn(C)c(=O)c2)C1.
What is the InChIKey of 2-[ethyl(methyl)amino]-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]acetamide?
The InChIKey is MPTFODPEMGHILP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O2/c1-4-18(2)11-14(21)16-8-12-5-6-20(10-12)13-7-15(22)19(3)17-9-13/h7,9,12H,4-6,8,10-11H2,1-3H3,(H,16,21).
What are the key properties of 2-[ethyl(methyl)amino]-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]acetamide?
2-[ethyl(methyl)amino]-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]acetamide has a molecular weight of 307.40 g/mol, XLogP of -0.33, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(methyl)amino]-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]acetamide is sourced from PubChem (CID 70704758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).