N-methyl-N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]-2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)acetamide

C18H27N5O3 — CID 72902382

IUPACN-methyl-N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]-2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)acetamide
SMILESCN1CC(CN(C)C(=O)Cn2ncc(N3CCCCC3)cc2=O)CC1=O
InChIInChI=1S/C18H27N5O3/c1-20-11-14(8-16(20)24)12-21(2)18(26)13-23-17(25)9-15(10-19-23)22-6-4-3-5-7-22/h9-10,14H,3-8,11-13H2,1-2H3
InChIKeyVKHFUZWUWPSXPS-UHFFFAOYSA-N
MW361.45 g/mol
LogP0.17
Rot. Bonds5

About N-methyl-N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]-2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)acetamide

N-methyl-N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]-2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)acetamide (PubChem CID 72902382) has the molecular formula C18H27N5O3 and a molecular weight of 361.45 g/mol. Its IUPAC name is N-methyl-N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]-2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)acetamide.

Molecular Properties

Compound NameN-methyl-N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]-2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)acetamide
PubChem CID72902382
Molecular FormulaC18H27N5O3
Molecular Weight361.45 g/mol
Exact Mass361.21
IUPAC NameN-methyl-N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]-2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)acetamide
SMILESCN1CC(CN(C)C(=O)Cn2ncc(N3CCCCC3)cc2=O)CC1=O
InChIInChI=1S/C18H27N5O3/c1-20-11-14(8-16(20)24)12-21(2)18(26)13-23-17(25)9-15(10-19-23)22-6-4-3-5-7-22/h9-10,14H,3-8,11-13H2,1-2H3
InChIKeyVKHFUZWUWPSXPS-UHFFFAOYSA-N
XLogP0.17
TPSA78.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 50.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-{[6-oxo-4-(1-pyrrolidinyl)-1(6H)-pyridazinyl]acetyl}-3-piperidinecarbonitrile
CID 45218294
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
1-(1-methyl-6-oxopyridazin-4-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide
CID 53203878
N-[(1-Ethylpyrrolidin-2-YL)methyl]-1-(1-methyl-6-oxo-16-dihydropyridazin-4-YL)piperidine-4-carboxamide
CID 53202102
N-butyl-N-methyl-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxamide
CID 53202111
2-Methyl-5-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]pyridazin-3-one
CID 53202114
5-[4-(4-Butylpiperazine-1-carbonyl)piperidin-1-yl]-2-methylpyridazin-3-one
CID 53202123
2-Methyl-5-[4-[4-(2-methylpropyl)piperazine-1-carbonyl]piperidin-1-yl]pyridazin-3-one
CID 53202124
N,N-dimethyl-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide
CID 53202142
5-[4-(4-Methylpiperazine-1-carbonyl)piperidin-1-yl]-2-propylpyridazin-3-one
CID 53202144
1-(6-Oxo-1-propyl-1,6-dihydropyridazin-4-YL)-N-[3-(2-oxopyrrolidin-1-YL)propyl]piperidine-4-carboxamide
CID 53202145

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]-2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)acetamide?
The IUPAC name of N-methyl-N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]-2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)acetamide (CID 72902382) is N-methyl-N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]-2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)acetamide.
What is the SMILES notation for N-methyl-N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]-2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)acetamide?
The canonical SMILES for N-methyl-N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]-2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)acetamide is CN1CC(CN(C)C(=O)Cn2ncc(N3CCCCC3)cc2=O)CC1=O.
What is the InChIKey of N-methyl-N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]-2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)acetamide?
The InChIKey is VKHFUZWUWPSXPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O3/c1-20-11-14(8-16(20)24)12-21(2)18(26)13-23-17(25)9-15(10-19-23)22-6-4-3-5-7-22/h9-10,14H,3-8,11-13H2,1-2H3.
What are the key properties of N-methyl-N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]-2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)acetamide?
N-methyl-N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]-2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)acetamide has a molecular weight of 361.45 g/mol, XLogP of 0.17, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]-2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)acetamide is sourced from PubChem (CID 72902382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).