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

C16H25N5O3 — CID 70748006

IUPAC2-methyl-N-[2-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methylamino]-2-oxoethyl]propanamide
SMILESCC(C)C(=O)NCC(=O)NCC1CCN(c2cnn(C)c(=O)c2)C1
InChIInChI=1S/C16H25N5O3/c1-11(2)16(24)18-9-14(22)17-7-12-4-5-21(10-12)13-6-15(23)20(3)19-8-13/h6,8,11-12H,4-5,7,9-10H2,1-3H3,(H,17,22)(H,18,24)
InChIKeyQEAKFURCTNQLFS-UHFFFAOYSA-N
MW335.41 g/mol
LogP-0.50
Rot. Bonds6

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

2-methyl-N-[2-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methylamino]-2-oxoethyl]propanamide (PubChem CID 70748006) has the molecular formula C16H25N5O3 and a molecular weight of 335.41 g/mol. Its IUPAC name is 2-methyl-N-[2-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methylamino]-2-oxoethyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[2-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methylamino]-2-oxoethyl]propanamide
PubChem CID70748006
Molecular FormulaC16H25N5O3
Molecular Weight335.41 g/mol
Exact Mass335.20
IUPAC Name2-methyl-N-[2-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methylamino]-2-oxoethyl]propanamide
SMILESCC(C)C(=O)NCC(=O)NCC1CCN(c2cnn(C)c(=O)c2)C1
InChIInChI=1S/C16H25N5O3/c1-11(2)16(24)18-9-14(22)17-7-12-4-5-21(10-12)13-6-15(23)20(3)19-8-13/h6,8,11-12H,4-5,7,9-10H2,1-3H3,(H,17,22)(H,18,24)
InChIKeyQEAKFURCTNQLFS-UHFFFAOYSA-N
XLogP-0.50
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methylamino]-2-oxoethyl]propanamide?
The IUPAC name of 2-methyl-N-[2-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methylamino]-2-oxoethyl]propanamide (CID 70748006) is 2-methyl-N-[2-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methylamino]-2-oxoethyl]propanamide.
What is the SMILES notation for 2-methyl-N-[2-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methylamino]-2-oxoethyl]propanamide?
The canonical SMILES for 2-methyl-N-[2-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methylamino]-2-oxoethyl]propanamide is CC(C)C(=O)NCC(=O)NCC1CCN(c2cnn(C)c(=O)c2)C1.
What is the InChIKey of 2-methyl-N-[2-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methylamino]-2-oxoethyl]propanamide?
The InChIKey is QEAKFURCTNQLFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O3/c1-11(2)16(24)18-9-14(22)17-7-12-4-5-21(10-12)13-6-15(23)20(3)19-8-13/h6,8,11-12H,4-5,7,9-10H2,1-3H3,(H,17,22)(H,18,24).
What are the key properties of 2-methyl-N-[2-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methylamino]-2-oxoethyl]propanamide?
2-methyl-N-[2-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methylamino]-2-oxoethyl]propanamide has a molecular weight of 335.41 g/mol, XLogP of -0.50, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methylamino]-2-oxoethyl]propanamide is sourced from PubChem (CID 70748006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).