4-methoxy-N-(pyridazin-3-ylmethyl)pyrrolidine-2-carboxamide

C11H16N4O2 — CID 106896215

IUPAC4-methoxy-N-(pyridazin-3-ylmethyl)pyrrolidine-2-carboxamide
SMILESCOC1CNC(C(=O)NCc2cccnn2)C1
InChIInChI=1S/C11H16N4O2/c1-17-9-5-10(12-7-9)11(16)13-6-8-3-2-4-14-15-8/h2-4,9-10,12H,5-7H2,1H3,(H,13,16)
InChIKeyFPJINZZACGBEIV-UHFFFAOYSA-N
MW236.28 g/mol
LogP-0.53
Rot. Bonds4

About 4-methoxy-N-(pyridazin-3-ylmethyl)pyrrolidine-2-carboxamide

4-methoxy-N-(pyridazin-3-ylmethyl)pyrrolidine-2-carboxamide (PubChem CID 106896215) has the molecular formula C11H16N4O2 and a molecular weight of 236.28 g/mol. Its IUPAC name is 4-methoxy-N-(pyridazin-3-ylmethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name4-methoxy-N-(pyridazin-3-ylmethyl)pyrrolidine-2-carboxamide
PubChem CID106896215
Molecular FormulaC11H16N4O2
Molecular Weight236.28 g/mol
Exact Mass236.13
IUPAC Name4-methoxy-N-(pyridazin-3-ylmethyl)pyrrolidine-2-carboxamide
SMILESCOC1CNC(C(=O)NCc2cccnn2)C1
InChIInChI=1S/C11H16N4O2/c1-17-9-5-10(12-7-9)11(16)13-6-8-3-2-4-14-15-8/h2-4,9-10,12H,5-7H2,1H3,(H,13,16)
InChIKeyFPJINZZACGBEIV-UHFFFAOYSA-N
XLogP-0.53
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-(1,2-oxazol-5-ylmethyl)pyrrolidine-2-carboxamide
CID 106417108
N-(pyridazin-3-ylmethyl)azetidine-3-carboxamide
CID 106896192
2-[4-[[(4-methoxypyrrolidine-2-carbonyl)amino]methyl]triazol-1-yl]acetic acid
CID 115458139
methyl 4-[[(4-methoxypyrrolidine-2-carbonyl)amino]methyl]benzoate
CID 61274724
N-[(4-cyanophenyl)methyl]-4-methoxypyrrolidine-2-carboxamide
CID 61215075
4-methoxy-N-[2-(1,3-thiazol-2-yl)ethyl]pyrrolidine-2-carboxamide
CID 55176000
(2S,4S)-4-methoxy-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]pyrrolidine-2-carboxamide
CID 167906073
N-(pyridazin-3-ylmethyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 106896010
4-methoxy-N-[2-(2-methylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 79748999
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-methoxypyrrolidine-2-carboxamide
CID 103832982
4-methoxy-N-phenylpyrrolidine-2-carboxamide
CID 61213145
(3R)-N-(pyridazin-3-ylmethyl)piperidine-3-carboxamide
CID 106896121

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(pyridazin-3-ylmethyl)pyrrolidine-2-carboxamide?
The IUPAC name of 4-methoxy-N-(pyridazin-3-ylmethyl)pyrrolidine-2-carboxamide (CID 106896215) is 4-methoxy-N-(pyridazin-3-ylmethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 4-methoxy-N-(pyridazin-3-ylmethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 4-methoxy-N-(pyridazin-3-ylmethyl)pyrrolidine-2-carboxamide is COC1CNC(C(=O)NCc2cccnn2)C1.
What is the InChIKey of 4-methoxy-N-(pyridazin-3-ylmethyl)pyrrolidine-2-carboxamide?
The InChIKey is FPJINZZACGBEIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-17-9-5-10(12-7-9)11(16)13-6-8-3-2-4-14-15-8/h2-4,9-10,12H,5-7H2,1H3,(H,13,16).
What are the key properties of 4-methoxy-N-(pyridazin-3-ylmethyl)pyrrolidine-2-carboxamide?
4-methoxy-N-(pyridazin-3-ylmethyl)pyrrolidine-2-carboxamide has a molecular weight of 236.28 g/mol, XLogP of -0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(pyridazin-3-ylmethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 106896215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).