ethane;1-methyl-N-[(3S)-1-(3-methylimidazo[1,2-b]pyridazin-6-yl)pyrrolidin-3-yl]-2-oxopyridine-3-carboxamide;pyridine

C25H31N7O2 — CID 144738199

IUPACethane;1-methyl-N-[(3S)-1-(3-methylimidazo[1,2-b]pyridazin-6-yl)pyrrolidin-3-yl]-2-oxopyridine-3-carboxamide;pyridine
SMILESCC.Cc1cnc2ccc(N3CC[C@H](NC(=O)c4cccn(C)c4=O)C3)nn12.c1ccncc1
InChIInChI=1S/C18H20N6O2.C5H5N.C2H6/c1-12-10-19-15-5-6-16(21-24(12)15)23-9-7-13(11-23)20-17(25)14-4-3-8-22(2)18(14)26;1-2-4-6-5-3-1;1-2/h3-6,8,10,13H,7,9,11H2,1-2H3,(H,20,25);1-5H;1-2H3/t13-;;/m0../s1
InChIKeyIHNOWABXCRUKEL-GXKRWWSZSA-N
MW461.57 g/mol
LogP2.85
Rot. Bonds3

About ethane;1-methyl-N-[(3S)-1-(3-methylimidazo[1,2-b]pyridazin-6-yl)pyrrolidin-3-yl]-2-oxopyridine-3-carboxamide;pyridine

ethane;1-methyl-N-[(3S)-1-(3-methylimidazo[1,2-b]pyridazin-6-yl)pyrrolidin-3-yl]-2-oxopyridine-3-carboxamide;pyridine (PubChem CID 144738199) has the molecular formula C25H31N7O2 and a molecular weight of 461.57 g/mol. Its IUPAC name is ethane;1-methyl-N-[(3S)-1-(3-methylimidazo[1,2-b]pyridazin-6-yl)pyrrolidin-3-yl]-2-oxopyridine-3-carboxamide;pyridine.

Molecular Properties

Compound Nameethane;1-methyl-N-[(3S)-1-(3-methylimidazo[1,2-b]pyridazin-6-yl)pyrrolidin-3-yl]-2-oxopyridine-3-carboxamide;pyridine
PubChem CID144738199
Molecular FormulaC25H31N7O2
Molecular Weight461.57 g/mol
Exact Mass461.25
IUPAC Nameethane;1-methyl-N-[(3S)-1-(3-methylimidazo[1,2-b]pyridazin-6-yl)pyrrolidin-3-yl]-2-oxopyridine-3-carboxamide;pyridine
SMILESCC.Cc1cnc2ccc(N3CC[C@H](NC(=O)c4cccn(C)c4=O)C3)nn12.c1ccncc1
InChIInChI=1S/C18H20N6O2.C5H5N.C2H6/c1-12-10-19-15-5-6-16(21-24(12)15)23-9-7-13(11-23)20-17(25)14-4-3-8-22(2)18(14)26;1-2-4-6-5-3-1;1-2/h3-6,8,10,13H,7,9,11H2,1-2H3,(H,20,25);1-5H;1-2H3/t13-;;/m0../s1
InChIKeyIHNOWABXCRUKEL-GXKRWWSZSA-N
XLogP2.85
TPSA97.42 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.57
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-butyl-2,3-dimethyl-N-[(3S)-1-(3-methylimidazo[1,2-b]pyridazin-6-yl)pyrrolidin-3-yl]-5-oxopyrazole-4-carboxamide;ethane;pyridine
CID 144738293
N-ethyl-6-[(3S)-3-[(1-methyl-2-oxopyridine-3-carbonyl)amino]pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide;fluorobenzene
CID 144738717
ethane;fluorobenzene;N-[(3S)-1-(3-methylimidazo[1,2-b]pyridazin-6-yl)pyrrolidin-3-yl]-6-oxo-1H-pyridine-2-carboxamide
CID 144738685
N-[(3S)-1-(3-methylimidazo[1,2-b]pyridazin-6-yl)pyrrolidin-3-yl]-6-phenylpyridine-2-carboxamide
CID 144737975
1-ethyl-5-methyl-N-[(3S)-1-(3-methylimidazo[1,2-b]pyridazin-6-yl)pyrrolidin-3-yl]-3-oxo-2-phenylpyrazole-4-carboxamide
CID 144737893
1-cyclopentyl-2,3-dimethyl-N-[(3S)-1-(3-methylimidazo[1,2-b]pyridazin-6-yl)pyrrolidin-3-yl]-5-oxopyrazole-4-carboxamide;ethane;fluorobenzene
CID 144738702
acetylene;1-(cyclohexylmethyl)-5,6-dimethyl-N-[1-(3-methylimidazo[1,2-b]pyridazin-6-yl)pyrrolidin-3-yl]-2-oxopyridine-3-carboxamide;ethane;fluorobenzene
CID 144738143
N-[(3S)-1-[3-[(E)-but-1-enyl]imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-3-yl]-1-ethyl-5,6-dimethyl-2-oxopyridine-3-carboxamide;pyridine
CID 144737967
1-butan-2-yl-2,3-dimethyl-N-[(3S)-1-(3-methylimidazo[1,2-b]pyridazin-6-yl)pyrrolidin-3-yl]-5-oxopyrazole-4-carboxamide;ethane;fluorobenzene
CID 144738046
acetylene;ethane;fluorobenzene;4-methyl-N-[(3S)-1-(3-methylimidazo[1,2-b]pyridazin-6-yl)pyrrolidin-3-yl]-5-[(E)-prop-1-enyl]pyridine-2-carboxamide
CID 144737896
ethane;5-ethenyl-4-methyl-N-[(3S)-1-(3-methylimidazo[1,2-b]pyridazin-6-yl)pyrrolidin-3-yl]pyridine-2-carboxamide;fluorobenzene
CID 144737940
N-[1-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]cyclopentanecarboxamide
CID 134801769

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-N-[(3S)-1-(3-methylimidazo[1,2-b]pyridazin-6-yl)pyrrolidin-3-yl]-2-oxopyridine-3-carboxamide;pyridine?
The IUPAC name of ethane;1-methyl-N-[(3S)-1-(3-methylimidazo[1,2-b]pyridazin-6-yl)pyrrolidin-3-yl]-2-oxopyridine-3-carboxamide;pyridine (CID 144738199) is ethane;1-methyl-N-[(3S)-1-(3-methylimidazo[1,2-b]pyridazin-6-yl)pyrrolidin-3-yl]-2-oxopyridine-3-carboxamide;pyridine.
What is the SMILES notation for ethane;1-methyl-N-[(3S)-1-(3-methylimidazo[1,2-b]pyridazin-6-yl)pyrrolidin-3-yl]-2-oxopyridine-3-carboxamide;pyridine?
The canonical SMILES for ethane;1-methyl-N-[(3S)-1-(3-methylimidazo[1,2-b]pyridazin-6-yl)pyrrolidin-3-yl]-2-oxopyridine-3-carboxamide;pyridine is CC.Cc1cnc2ccc(N3CC[C@H](NC(=O)c4cccn(C)c4=O)C3)nn12.c1ccncc1.
What is the InChIKey of ethane;1-methyl-N-[(3S)-1-(3-methylimidazo[1,2-b]pyridazin-6-yl)pyrrolidin-3-yl]-2-oxopyridine-3-carboxamide;pyridine?
The InChIKey is IHNOWABXCRUKEL-GXKRWWSZSA-N. The full InChI is InChI=1S/C18H20N6O2.C5H5N.C2H6/c1-12-10-19-15-5-6-16(21-24(12)15)23-9-7-13(11-23)20-17(25)14-4-3-8-22(2)18(14)26;1-2-4-6-5-3-1;1-2/h3-6,8,10,13H,7,9,11H2,1-2H3,(H,20,25);1-5H;1-2H3/t13-;;/m0../s1.
What are the key properties of ethane;1-methyl-N-[(3S)-1-(3-methylimidazo[1,2-b]pyridazin-6-yl)pyrrolidin-3-yl]-2-oxopyridine-3-carboxamide;pyridine?
ethane;1-methyl-N-[(3S)-1-(3-methylimidazo[1,2-b]pyridazin-6-yl)pyrrolidin-3-yl]-2-oxopyridine-3-carboxamide;pyridine has a molecular weight of 461.57 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-N-[(3S)-1-(3-methylimidazo[1,2-b]pyridazin-6-yl)pyrrolidin-3-yl]-2-oxopyridine-3-carboxamide;pyridine is sourced from PubChem (CID 144738199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).