1-methyl-6-oxo-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]pyridazine-3-carboxamide

C18H20N4O3 — CID 55722187

IUPAC1-methyl-6-oxo-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]pyridazine-3-carboxamide
SMILESCn1nc(C(=O)NCc2cccc(C(=O)N3CCCC3)c2)ccc1=O
InChIInChI=1S/C18H20N4O3/c1-21-16(23)8-7-15(20-21)17(24)19-12-13-5-4-6-14(11-13)18(25)22-9-2-3-10-22/h4-8,11H,2-3,9-10,12H2,1H3,(H,19,24)
InChIKeyCZAVBHROLXJADE-UHFFFAOYSA-N
MW340.38 g/mol
LogP0.95
Rot. Bonds4

About 1-methyl-6-oxo-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]pyridazine-3-carboxamide

1-methyl-6-oxo-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]pyridazine-3-carboxamide (PubChem CID 55722187) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is 1-methyl-6-oxo-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-6-oxo-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]pyridazine-3-carboxamide
PubChem CID55722187
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name1-methyl-6-oxo-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]pyridazine-3-carboxamide
SMILESCn1nc(C(=O)NCc2cccc(C(=O)N3CCCC3)c2)ccc1=O
InChIInChI=1S/C18H20N4O3/c1-21-16(23)8-7-15(20-21)17(24)19-12-13-5-4-6-14(11-13)18(25)22-9-2-3-10-22/h4-8,11H,2-3,9-10,12H2,1H3,(H,19,24)
InChIKeyCZAVBHROLXJADE-UHFFFAOYSA-N
XLogP0.95
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-oxo-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]-1-propylpyridazine-3-carboxamide
CID 46464028
N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide
CID 46466970
2,3-dimethyl-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]quinoxaline-6-carboxamide
CID 55692999
1-methyl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]indole-3-carboxamide
CID 51120858
3,4-diethoxy-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide
CID 46467040
4-propan-2-ylsulfanyl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide
CID 47057188
4-methyl-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide
CID 55967107
N-[[3-(piperidine-1-carbonyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 166182410
1-benzyl-3-[[3-(piperidine-1-carbonyl)phenyl]methyl]thiourea
CID 43075884
2-[cyclopropanecarbonyl(methyl)amino]-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide
CID 55961993
1-methyl-6-oxo-N-[(3-pyridin-2-yloxyphenyl)methyl]pyridazine-3-carboxamide
CID 90596207
1-methyl-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-6-oxopyridazine-3-carboxamide
CID 55728121

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-oxo-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]pyridazine-3-carboxamide?
The IUPAC name of 1-methyl-6-oxo-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]pyridazine-3-carboxamide (CID 55722187) is 1-methyl-6-oxo-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]pyridazine-3-carboxamide.
What is the SMILES notation for 1-methyl-6-oxo-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]pyridazine-3-carboxamide?
The canonical SMILES for 1-methyl-6-oxo-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]pyridazine-3-carboxamide is Cn1nc(C(=O)NCc2cccc(C(=O)N3CCCC3)c2)ccc1=O.
What is the InChIKey of 1-methyl-6-oxo-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]pyridazine-3-carboxamide?
The InChIKey is CZAVBHROLXJADE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-21-16(23)8-7-15(20-21)17(24)19-12-13-5-4-6-14(11-13)18(25)22-9-2-3-10-22/h4-8,11H,2-3,9-10,12H2,1H3,(H,19,24).
What are the key properties of 1-methyl-6-oxo-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]pyridazine-3-carboxamide?
1-methyl-6-oxo-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]pyridazine-3-carboxamide has a molecular weight of 340.38 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-oxo-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]pyridazine-3-carboxamide is sourced from PubChem (CID 55722187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).