N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]-2-(oxetan-3-yl)pyridine-4-carboxamide

C25H27N5O4 — CID 90456439

IUPACN-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]-2-(oxetan-3-yl)pyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(C3COC3)c2)cc1-c1cc(N2CCOCC2)c(=O)n(C)n1
InChIInChI=1S/C25H27N5O4/c1-16-3-4-19(27-24(31)17-5-6-26-21(11-17)18-14-34-15-18)12-20(16)22-13-23(25(32)29(2)28-22)30-7-9-33-10-8-30/h3-6,11-13,18H,7-10,14-15H2,1-2H3,(H,27,31)
InChIKeyNIRSIPOPYLZQPU-UHFFFAOYSA-N
MW461.52 g/mol
LogP2.35
Rot. Bonds5

About N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]-2-(oxetan-3-yl)pyridine-4-carboxamide

N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]-2-(oxetan-3-yl)pyridine-4-carboxamide (PubChem CID 90456439) has the molecular formula C25H27N5O4 and a molecular weight of 461.52 g/mol. Its IUPAC name is N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]-2-(oxetan-3-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]-2-(oxetan-3-yl)pyridine-4-carboxamide
PubChem CID90456439
Molecular FormulaC25H27N5O4
Molecular Weight461.52 g/mol
Exact Mass461.21
IUPAC NameN-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]-2-(oxetan-3-yl)pyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(C3COC3)c2)cc1-c1cc(N2CCOCC2)c(=O)n(C)n1
InChIInChI=1S/C25H27N5O4/c1-16-3-4-19(27-24(31)17-5-6-26-21(11-17)18-14-34-15-18)12-20(16)22-13-23(25(32)29(2)28-22)30-7-9-33-10-8-30/h3-6,11-13,18H,7-10,14-15H2,1-2H3,(H,27,31)
InChIKeyNIRSIPOPYLZQPU-UHFFFAOYSA-N
XLogP2.35
TPSA98.58 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.52
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Launch Full Analysis

Related Compounds

N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]-2-(oxetan-3-yl)pyridine-4-carboxamide
CID 90457250
4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 90410070
6-(2-cyanopropan-2-yl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]pyridazine-4-carboxamide
CID 90463098
2-(2-fluoropropan-2-yl)-N-[4-methyl-3-[1-methyl-5-(oxan-4-yl)-6-oxopyridazin-3-yl]phenyl]pyridine-4-carboxamide
CID 90461349
2-cyclopropyl-N-[4-methyl-3-(2-methyl-6-morpholin-4-yl-4-pyridinyl)phenyl]pyridine-4-carboxamide
CID 134380057
2-[ethyl(methyl)amino]-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridine-4-carboxamide
CID 90461059
2-cyclopropyl-N-[5-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide
CID 90460391
3-(difluoromethyl)-N-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]benzamide
CID 90462733
2-(2-fluoropropan-2-yl)-N-[4-methyl-3-[1-methyl-5-(oxetan-3-yl)-6-oxo-3-pyridinyl]phenyl]pyridine-4-carboxamide
CID 134609630
2-fluoro-N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide
CID 130425724
2-(difluoromethyl)-N-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]pyridine-4-carboxamide
CID 90460976
2-(1-cyanocyclopropyl)-N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]pyridine-4-carboxamide
CID 90463373

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]-2-(oxetan-3-yl)pyridine-4-carboxamide?
The IUPAC name of N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]-2-(oxetan-3-yl)pyridine-4-carboxamide (CID 90456439) is N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]-2-(oxetan-3-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]-2-(oxetan-3-yl)pyridine-4-carboxamide?
The canonical SMILES for N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]-2-(oxetan-3-yl)pyridine-4-carboxamide is Cc1ccc(NC(=O)c2ccnc(C3COC3)c2)cc1-c1cc(N2CCOCC2)c(=O)n(C)n1.
What is the InChIKey of N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]-2-(oxetan-3-yl)pyridine-4-carboxamide?
The InChIKey is NIRSIPOPYLZQPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O4/c1-16-3-4-19(27-24(31)17-5-6-26-21(11-17)18-14-34-15-18)12-20(16)22-13-23(25(32)29(2)28-22)30-7-9-33-10-8-30/h3-6,11-13,18H,7-10,14-15H2,1-2H3,(H,27,31).
What are the key properties of N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]-2-(oxetan-3-yl)pyridine-4-carboxamide?
N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]-2-(oxetan-3-yl)pyridine-4-carboxamide has a molecular weight of 461.52 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]-2-(oxetan-3-yl)pyridine-4-carboxamide is sourced from PubChem (CID 90456439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).