N-[6-(1-methyl-5,6,7,8,9,10-hexahydrocycloocta[d]pyridazin-4-yl)-3-pyridinyl]butanamide

C20H26N4O — CID 121289156

IUPACN-[6-(1-methyl-5,6,7,8,9,10-hexahydrocycloocta[d]pyridazin-4-yl)-3-pyridinyl]butanamide
SMILESCCCC(=O)Nc1ccc(-c2nnc(C)c3c2CCCCCC3)nc1
InChIInChI=1S/C20H26N4O/c1-3-8-19(25)22-15-11-12-18(21-13-15)20-17-10-7-5-4-6-9-16(17)14(2)23-24-20/h11-13H,3-10H2,1-2H3,(H,22,25)
InChIKeyCCHPCRKVQYFOJL-UHFFFAOYSA-N
MW338.46 g/mol
LogP4.24
Rot. Bonds4

About N-[6-(1-methyl-5,6,7,8,9,10-hexahydrocycloocta[d]pyridazin-4-yl)-3-pyridinyl]butanamide

N-[6-(1-methyl-5,6,7,8,9,10-hexahydrocycloocta[d]pyridazin-4-yl)-3-pyridinyl]butanamide (PubChem CID 121289156) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is N-[6-(1-methyl-5,6,7,8,9,10-hexahydrocycloocta[d]pyridazin-4-yl)-3-pyridinyl]butanamide.

Molecular Properties

Compound NameN-[6-(1-methyl-5,6,7,8,9,10-hexahydrocycloocta[d]pyridazin-4-yl)-3-pyridinyl]butanamide
PubChem CID121289156
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC NameN-[6-(1-methyl-5,6,7,8,9,10-hexahydrocycloocta[d]pyridazin-4-yl)-3-pyridinyl]butanamide
SMILESCCCC(=O)Nc1ccc(-c2nnc(C)c3c2CCCCCC3)nc1
InChIInChI=1S/C20H26N4O/c1-3-8-19(25)22-15-11-12-18(21-13-15)20-17-10-7-5-4-6-9-16(17)14(2)23-24-20/h11-13H,3-10H2,1-2H3,(H,22,25)
InChIKeyCCHPCRKVQYFOJL-UHFFFAOYSA-N
XLogP4.24
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[6-(1-methyl-5,6,7,8,9,10-hexahydrocycloocta[d]pyridazin-4-yl)-3-pyridinyl]butanamide?
The IUPAC name of N-[6-(1-methyl-5,6,7,8,9,10-hexahydrocycloocta[d]pyridazin-4-yl)-3-pyridinyl]butanamide (CID 121289156) is N-[6-(1-methyl-5,6,7,8,9,10-hexahydrocycloocta[d]pyridazin-4-yl)-3-pyridinyl]butanamide.
What is the SMILES notation for N-[6-(1-methyl-5,6,7,8,9,10-hexahydrocycloocta[d]pyridazin-4-yl)-3-pyridinyl]butanamide?
The canonical SMILES for N-[6-(1-methyl-5,6,7,8,9,10-hexahydrocycloocta[d]pyridazin-4-yl)-3-pyridinyl]butanamide is CCCC(=O)Nc1ccc(-c2nnc(C)c3c2CCCCCC3)nc1.
What is the InChIKey of N-[6-(1-methyl-5,6,7,8,9,10-hexahydrocycloocta[d]pyridazin-4-yl)-3-pyridinyl]butanamide?
The InChIKey is CCHPCRKVQYFOJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-3-8-19(25)22-15-11-12-18(21-13-15)20-17-10-7-5-4-6-9-16(17)14(2)23-24-20/h11-13H,3-10H2,1-2H3,(H,22,25).
What are the key properties of N-[6-(1-methyl-5,6,7,8,9,10-hexahydrocycloocta[d]pyridazin-4-yl)-3-pyridinyl]butanamide?
N-[6-(1-methyl-5,6,7,8,9,10-hexahydrocycloocta[d]pyridazin-4-yl)-3-pyridinyl]butanamide has a molecular weight of 338.46 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(1-methyl-5,6,7,8,9,10-hexahydrocycloocta[d]pyridazin-4-yl)-3-pyridinyl]butanamide is sourced from PubChem (CID 121289156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).