4-methyl-N-[(1R)-1-(2-methyl-3-pyridinyl)ethyl]-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine

C20H24N6O — CID 156527573

IUPAC4-methyl-N-[(1R)-1-(2-methyl-3-pyridinyl)ethyl]-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine
SMILESCc1ncccc1[C@@H](C)Nc1nnc(C)c2cnc(N3CCOCC3)cc12
InChIInChI=1S/C20H24N6O/c1-13-16(5-4-6-21-13)14(2)23-20-17-11-19(26-7-9-27-10-8-26)22-12-18(17)15(3)24-25-20/h4-6,11-12,14H,7-10H2,1-3H3,(H,23,25)/t14-/m1/s1
InChIKeyDBVSYAGHUCOXLY-CQSZACIVSA-N
MW364.45 g/mol
LogP3.05
Rot. Bonds4

About 4-methyl-N-[(1R)-1-(2-methyl-3-pyridinyl)ethyl]-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine

4-methyl-N-[(1R)-1-(2-methyl-3-pyridinyl)ethyl]-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine (PubChem CID 156527573) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is 4-methyl-N-[(1R)-1-(2-methyl-3-pyridinyl)ethyl]-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine.

Molecular Properties

Compound Name4-methyl-N-[(1R)-1-(2-methyl-3-pyridinyl)ethyl]-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine
PubChem CID156527573
Molecular FormulaC20H24N6O
Molecular Weight364.45 g/mol
Exact Mass364.20
IUPAC Name4-methyl-N-[(1R)-1-(2-methyl-3-pyridinyl)ethyl]-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine
SMILESCc1ncccc1[C@@H](C)Nc1nnc(C)c2cnc(N3CCOCC3)cc12
InChIInChI=1S/C20H24N6O/c1-13-16(5-4-6-21-13)14(2)23-20-17-11-19(26-7-9-27-10-8-26)22-12-18(17)15(3)24-25-20/h4-6,11-12,14H,7-10H2,1-3H3,(H,23,25)/t14-/m1/s1
InChIKeyDBVSYAGHUCOXLY-CQSZACIVSA-N
XLogP3.05
TPSA76.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(1R)-1-(2-methyl-3-pyridinyl)ethyl]-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine?
The IUPAC name of 4-methyl-N-[(1R)-1-(2-methyl-3-pyridinyl)ethyl]-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine (CID 156527573) is 4-methyl-N-[(1R)-1-(2-methyl-3-pyridinyl)ethyl]-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine.
What is the SMILES notation for 4-methyl-N-[(1R)-1-(2-methyl-3-pyridinyl)ethyl]-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine?
The canonical SMILES for 4-methyl-N-[(1R)-1-(2-methyl-3-pyridinyl)ethyl]-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine is Cc1ncccc1[C@@H](C)Nc1nnc(C)c2cnc(N3CCOCC3)cc12.
What is the InChIKey of 4-methyl-N-[(1R)-1-(2-methyl-3-pyridinyl)ethyl]-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine?
The InChIKey is DBVSYAGHUCOXLY-CQSZACIVSA-N. The full InChI is InChI=1S/C20H24N6O/c1-13-16(5-4-6-21-13)14(2)23-20-17-11-19(26-7-9-27-10-8-26)22-12-18(17)15(3)24-25-20/h4-6,11-12,14H,7-10H2,1-3H3,(H,23,25)/t14-/m1/s1.
What are the key properties of 4-methyl-N-[(1R)-1-(2-methyl-3-pyridinyl)ethyl]-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine?
4-methyl-N-[(1R)-1-(2-methyl-3-pyridinyl)ethyl]-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine has a molecular weight of 364.45 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(1R)-1-(2-methyl-3-pyridinyl)ethyl]-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-amine is sourced from PubChem (CID 156527573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).