N-(3-methyl-1-pyridin-3-ylbutyl)-6-phenylpyridazin-3-amine

C20H22N4 — CID 134697190

IUPACN-(3-methyl-1-pyridin-3-ylbutyl)-6-phenylpyridazin-3-amine
SMILESCC(C)CC(Nc1ccc(-c2ccccc2)nn1)c1cccnc1
InChIInChI=1S/C20H22N4/c1-15(2)13-19(17-9-6-12-21-14-17)22-20-11-10-18(23-24-20)16-7-4-3-5-8-16/h3-12,14-15,19H,13H2,1-2H3,(H,22,24)
InChIKeyDDYVDMWJSMDZLR-UHFFFAOYSA-N
MW318.42 g/mol
LogP4.74
Rot. Bonds6

About N-(3-methyl-1-pyridin-3-ylbutyl)-6-phenylpyridazin-3-amine

N-(3-methyl-1-pyridin-3-ylbutyl)-6-phenylpyridazin-3-amine (PubChem CID 134697190) has the molecular formula C20H22N4 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-(3-methyl-1-pyridin-3-ylbutyl)-6-phenylpyridazin-3-amine.

Molecular Properties

Compound NameN-(3-methyl-1-pyridin-3-ylbutyl)-6-phenylpyridazin-3-amine
PubChem CID134697190
Molecular FormulaC20H22N4
Molecular Weight318.42 g/mol
Exact Mass318.18
IUPAC NameN-(3-methyl-1-pyridin-3-ylbutyl)-6-phenylpyridazin-3-amine
SMILESCC(C)CC(Nc1ccc(-c2ccccc2)nn1)c1cccnc1
InChIInChI=1S/C20H22N4/c1-15(2)13-19(17-9-6-12-21-14-17)22-20-11-10-18(23-24-20)16-7-4-3-5-8-16/h3-12,14-15,19H,13H2,1-2H3,(H,22,24)
InChIKeyDDYVDMWJSMDZLR-UHFFFAOYSA-N
XLogP4.74
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(6-pyridin-3-ylpyridazin-3-yl)propane-1,2-diamine
CID 116970540
2-[(6-pyridin-3-ylpyridazin-3-yl)amino]propanoic acid
CID 116971458
3-methyl-1-phenyl-N-(2-pyridin-3-ylethyl)butan-1-amine
CID 60896076
2-phenyl-5-propan-2-ylpyridine;3-propan-2-ylpyridine
CID 177029893
N-(6-phenylpyridazin-3-yl)pyridine-3-sulfonamide
CID 86806095
N-[phenyl(pyridin-3-yl)methyl]aniline
CID 59907870
4-methyl-N-(1-pyridin-3-ylethyl)pentan-2-amine
CID 43203538
3-[[6-[[3-methyl-1-(4-pyridin-3-ylphenyl)butyl]amino]pyridine-3-carbonyl]amino]propanoic acid
CID 57389522
1,2,5-trimethyl-N-(3-methyl-1-pyridin-3-ylbutyl)pyrrole-3-carboxamide
CID 135106046
N-[2-(2-chlorophenyl)-2-methylpropyl]-6-pyridin-3-ylpyridazin-3-amine
CID 67452963
3-[(1R)-1-phenylethyl]pyridine
CID 13287121
3-methyl-N-[(3-methyl-4-pyridinyl)methyl]-1-phenylbutan-1-amine
CID 114698805

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1-pyridin-3-ylbutyl)-6-phenylpyridazin-3-amine?
The IUPAC name of N-(3-methyl-1-pyridin-3-ylbutyl)-6-phenylpyridazin-3-amine (CID 134697190) is N-(3-methyl-1-pyridin-3-ylbutyl)-6-phenylpyridazin-3-amine.
What is the SMILES notation for N-(3-methyl-1-pyridin-3-ylbutyl)-6-phenylpyridazin-3-amine?
The canonical SMILES for N-(3-methyl-1-pyridin-3-ylbutyl)-6-phenylpyridazin-3-amine is CC(C)CC(Nc1ccc(-c2ccccc2)nn1)c1cccnc1.
What is the InChIKey of N-(3-methyl-1-pyridin-3-ylbutyl)-6-phenylpyridazin-3-amine?
The InChIKey is DDYVDMWJSMDZLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4/c1-15(2)13-19(17-9-6-12-21-14-17)22-20-11-10-18(23-24-20)16-7-4-3-5-8-16/h3-12,14-15,19H,13H2,1-2H3,(H,22,24).
What are the key properties of N-(3-methyl-1-pyridin-3-ylbutyl)-6-phenylpyridazin-3-amine?
N-(3-methyl-1-pyridin-3-ylbutyl)-6-phenylpyridazin-3-amine has a molecular weight of 318.42 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1-pyridin-3-ylbutyl)-6-phenylpyridazin-3-amine is sourced from PubChem (CID 134697190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).