N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-7-[(1R)-1-phenylethyl]pyrrolo[1,2-b]pyridazine-5-carboxamide

C25H26N4O3 — CID 86299691

IUPACN-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-7-[(1R)-1-phenylethyl]pyrrolo[1,2-b]pyridazine-5-carboxamide
SMILESCOc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)c([C@H](C)c2ccccc2)n2ncccc12
InChIInChI=1S/C25H26N4O3/c1-15-13-21(32-4)19(24(30)28-15)14-26-25(31)22-17(3)23(29-20(22)11-8-12-27-29)16(2)18-9-6-5-7-10-18/h5-13,16H,14H2,1-4H3,(H,26,31)(H,28,30)/t16-/m1/s1
InChIKeyLKDMOXPPBBZFTE-MRXNPFEDSA-N
MW430.51 g/mol
LogP3.73
Rot. Bonds6

About N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-7-[(1R)-1-phenylethyl]pyrrolo[1,2-b]pyridazine-5-carboxamide

N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-7-[(1R)-1-phenylethyl]pyrrolo[1,2-b]pyridazine-5-carboxamide (PubChem CID 86299691) has the molecular formula C25H26N4O3 and a molecular weight of 430.51 g/mol. Its IUPAC name is N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-7-[(1R)-1-phenylethyl]pyrrolo[1,2-b]pyridazine-5-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-7-[(1R)-1-phenylethyl]pyrrolo[1,2-b]pyridazine-5-carboxamide
PubChem CID86299691
Molecular FormulaC25H26N4O3
Molecular Weight430.51 g/mol
Exact Mass430.20
IUPAC NameN-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-7-[(1R)-1-phenylethyl]pyrrolo[1,2-b]pyridazine-5-carboxamide
SMILESCOc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)c([C@H](C)c2ccccc2)n2ncccc12
InChIInChI=1S/C25H26N4O3/c1-15-13-21(32-4)19(24(30)28-15)14-26-25(31)22-17(3)23(29-20(22)11-8-12-27-29)16(2)18-9-6-5-7-10-18/h5-13,16H,14H2,1-4H3,(H,26,31)(H,28,30)/t16-/m1/s1
InChIKeyLKDMOXPPBBZFTE-MRXNPFEDSA-N
XLogP3.73
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-7-[(1R)-1-phenylethyl]pyrrolo[1,2-b]pyridazine-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-7-[(1R)-1-phenylethyl]pyrrolo[1,2-b]pyridazine-5-carboxamide?
The IUPAC name of N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-7-[(1R)-1-phenylethyl]pyrrolo[1,2-b]pyridazine-5-carboxamide (CID 86299691) is N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-7-[(1R)-1-phenylethyl]pyrrolo[1,2-b]pyridazine-5-carboxamide.
What is the SMILES notation for N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-7-[(1R)-1-phenylethyl]pyrrolo[1,2-b]pyridazine-5-carboxamide?
The canonical SMILES for N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-7-[(1R)-1-phenylethyl]pyrrolo[1,2-b]pyridazine-5-carboxamide is COc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)c([C@H](C)c2ccccc2)n2ncccc12.
What is the InChIKey of N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-7-[(1R)-1-phenylethyl]pyrrolo[1,2-b]pyridazine-5-carboxamide?
The InChIKey is LKDMOXPPBBZFTE-MRXNPFEDSA-N. The full InChI is InChI=1S/C25H26N4O3/c1-15-13-21(32-4)19(24(30)28-15)14-26-25(31)22-17(3)23(29-20(22)11-8-12-27-29)16(2)18-9-6-5-7-10-18/h5-13,16H,14H2,1-4H3,(H,26,31)(H,28,30)/t16-/m1/s1.
What are the key properties of N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-7-[(1R)-1-phenylethyl]pyrrolo[1,2-b]pyridazine-5-carboxamide?
N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-7-[(1R)-1-phenylethyl]pyrrolo[1,2-b]pyridazine-5-carboxamide has a molecular weight of 430.51 g/mol, XLogP of 3.73, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-7-[(1R)-1-phenylethyl]pyrrolo[1,2-b]pyridazine-5-carboxamide is sourced from PubChem (CID 86299691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).