2,2,3,3-tetramethyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]cyclopropane-1-carboxamide

C18H28N4O2 — CID 70756374

IUPAC2,2,3,3-tetramethyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]cyclopropane-1-carboxamide
SMILESCn1ncc(N2CCC(CNC(=O)C3C(C)(C)C3(C)C)C2)cc1=O
InChIInChI=1S/C18H28N4O2/c1-17(2)15(18(17,3)4)16(24)19-9-12-6-7-22(11-12)13-8-14(23)21(5)20-10-13/h8,10,12,15H,6-7,9,11H2,1-5H3,(H,19,24)
InChIKeyLXVFZDIXNJUNTM-UHFFFAOYSA-N
MW332.45 g/mol
LogP1.40
Rot. Bonds4

About 2,2,3,3-tetramethyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]cyclopropane-1-carboxamide

2,2,3,3-tetramethyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]cyclopropane-1-carboxamide (PubChem CID 70756374) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 2,2,3,3-tetramethyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2,3,3-tetramethyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]cyclopropane-1-carboxamide
PubChem CID70756374
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name2,2,3,3-tetramethyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]cyclopropane-1-carboxamide
SMILESCn1ncc(N2CCC(CNC(=O)C3C(C)(C)C3(C)C)C2)cc1=O
InChIInChI=1S/C18H28N4O2/c1-17(2)15(18(17,3)4)16(24)19-9-12-6-7-22(11-12)13-8-14(23)21(5)20-10-13/h8,10,12,15H,6-7,9,11H2,1-5H3,(H,19,24)
InChIKeyLXVFZDIXNJUNTM-UHFFFAOYSA-N
XLogP1.40
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2,2,3,3-tetramethyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]cyclopropane-1-carboxamide with MolForge

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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-(1-methyl-6-oxopyridazin-4-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide
CID 53203878
1-(6-Oxo-1-propyl-1,6-dihydropyridazin-4-YL)-N-[3-(2-oxopyrrolidin-1-YL)propyl]piperidine-4-carboxamide
CID 53202145
N-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-3-pyrrolidinyl]methyl}-3-(2-oxo-1-piperidinyl)propanamide
CID 70739487
N-{1-[1-(Cyclopropylmethyl)-6-oxo-1,6-dihydropyridazin-4-YL]piperidin-4-YL}-4-methylpentanamide
CID 91911837
"N-{1-[1-(cyclopropylmethyl)-6-oxo-1,6-dihydro-4-pyridazinyl]-4-piperidyl}-2,2-dimethylbutanamide"
CID 91911844
N-(cyclopropylmethyl)-2-[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-3-piperidyl]acetamide
CID 91917427
N-(Cyclopropylmethyl)-2-[1-(1-ethyl-6-oxo-1,6-dihydropyridazin-4-YL)piperidin-3-YL]acetamide
CID 91917475
2-{1-[1-(Cyclopropylmethyl)-6-oxo-1,6-dihydropyridazin-4-YL]piperidin-3-YL}-N-propylacetamide
CID 91917520
N-[3-[bis(2-methylpropyl)amino]propyl]-1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidine-3-carboxamide
CID 91920262
4-Methyl-N-[1-(1-methyl-6-oxo-1,6-dihydropyridazin-4-YL)piperidin-4-YL]pentanamide
CID 91924027
N-[1-(1-Ethyl-6-oxo-1,6-dihydropyridazin-4-YL)piperidin-4-YL]-4-methylpentanamide
CID 91924052

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetramethyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]cyclopropane-1-carboxamide?
The IUPAC name of 2,2,3,3-tetramethyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]cyclopropane-1-carboxamide (CID 70756374) is 2,2,3,3-tetramethyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2,2,3,3-tetramethyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2,2,3,3-tetramethyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]cyclopropane-1-carboxamide is Cn1ncc(N2CCC(CNC(=O)C3C(C)(C)C3(C)C)C2)cc1=O.
What is the InChIKey of 2,2,3,3-tetramethyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]cyclopropane-1-carboxamide?
The InChIKey is LXVFZDIXNJUNTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-17(2)15(18(17,3)4)16(24)19-9-12-6-7-22(11-12)13-8-14(23)21(5)20-10-13/h8,10,12,15H,6-7,9,11H2,1-5H3,(H,19,24).
What are the key properties of 2,2,3,3-tetramethyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]cyclopropane-1-carboxamide?
2,2,3,3-tetramethyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]cyclopropane-1-carboxamide has a molecular weight of 332.45 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetramethyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 70756374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).