4-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]pentanamide

C16H26N4O2 — CID 70742377

IUPAC4-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]pentanamide
SMILESCC(C)CCC(=O)NCC1CCN(c2cnn(C)c(=O)c2)C1
InChIInChI=1S/C16H26N4O2/c1-12(2)4-5-15(21)17-9-13-6-7-20(11-13)14-8-16(22)19(3)18-10-14/h8,10,12-13H,4-7,9,11H2,1-3H3,(H,17,21)
InChIKeyXNUDJVQIFGMYRN-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.16
Rot. Bonds6

About 4-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]pentanamide

4-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]pentanamide (PubChem CID 70742377) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 4-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]pentanamide.

Molecular Properties

Compound Name4-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]pentanamide
PubChem CID70742377
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name4-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]pentanamide
SMILESCC(C)CCC(=O)NCC1CCN(c2cnn(C)c(=O)c2)C1
InChIInChI=1S/C16H26N4O2/c1-12(2)4-5-15(21)17-9-13-6-7-20(11-13)14-8-16(22)19(3)18-10-14/h8,10,12-13H,4-7,9,11H2,1-3H3,(H,17,21)
InChIKeyXNUDJVQIFGMYRN-UHFFFAOYSA-N
XLogP1.16
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-4-piperidinyl]methyl}-3-(1-pyrrolidinyl)propanamide
CID 70759750
1-isopropyl-N-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-4-piperidinyl]methyl}-L-prolinamide
CID 70780050
2-[1-(1-Ethyl-6-oxo-1,6-dihydropyridazin-4-YL)piperidin-3-YL]-N-(pentan-3-YL)acetamide
CID 91907045
1-(1-methyl-6-oxopyridazin-4-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide
CID 53203878
N-(3-methylbutyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxamide
CID 53202079
N-[(1-Ethylpyrrolidin-2-YL)methyl]-1-(1-methyl-6-oxo-16-dihydropyridazin-4-YL)piperidine-4-carboxamide
CID 53202102
N-(3-methylbutyl)-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide
CID 53202143
1-(6-Oxo-1-propyl-1,6-dihydropyridazin-4-YL)-N-[3-(2-oxopyrrolidin-1-YL)propyl]piperidine-4-carboxamide
CID 53202145
1-(6-oxo-1-propylpyridazin-4-yl)-N-pentan-3-ylpiperidine-4-carboxamide
CID 53202148
N-methyl-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide
CID 53202150
N-cyclopentyl-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide
CID 53202166
N-(2-Methylpropyl)-1-(6-oxo-1-propyl-1,6-dihydropyridazin-4-YL)piperidine-4-carboxamide
CID 53202197

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]pentanamide?
The IUPAC name of 4-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]pentanamide (CID 70742377) is 4-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]pentanamide.
What is the SMILES notation for 4-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]pentanamide?
The canonical SMILES for 4-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]pentanamide is CC(C)CCC(=O)NCC1CCN(c2cnn(C)c(=O)c2)C1.
What is the InChIKey of 4-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]pentanamide?
The InChIKey is XNUDJVQIFGMYRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-12(2)4-5-15(21)17-9-13-6-7-20(11-13)14-8-16(22)19(3)18-10-14/h8,10,12-13H,4-7,9,11H2,1-3H3,(H,17,21).
What are the key properties of 4-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]pentanamide?
4-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]pentanamide has a molecular weight of 306.41 g/mol, XLogP of 1.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]pentanamide is sourced from PubChem (CID 70742377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).