3-[[6-(azepan-1-yl)-3-pyridinyl]methylamino]-5,6-dimethylpyridazine-4-carbonitrile

C19H24N6 — CID 56815452

IUPAC3-[[6-(azepan-1-yl)-3-pyridinyl]methylamino]-5,6-dimethylpyridazine-4-carbonitrile
SMILESCc1nnc(NCc2ccc(N3CCCCCC3)nc2)c(C#N)c1C
InChIInChI=1S/C19H24N6/c1-14-15(2)23-24-19(17(14)11-20)22-13-16-7-8-18(21-12-16)25-9-5-3-4-6-10-25/h7-8,12H,3-6,9-10,13H2,1-2H3,(H,22,24)
InChIKeyLIXWVRPBQGWXGX-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.35
Rot. Bonds4

About 3-[[6-(azepan-1-yl)-3-pyridinyl]methylamino]-5,6-dimethylpyridazine-4-carbonitrile

3-[[6-(azepan-1-yl)-3-pyridinyl]methylamino]-5,6-dimethylpyridazine-4-carbonitrile (PubChem CID 56815452) has the molecular formula C19H24N6 and a molecular weight of 336.44 g/mol. Its IUPAC name is 3-[[6-(azepan-1-yl)-3-pyridinyl]methylamino]-5,6-dimethylpyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-[[6-(azepan-1-yl)-3-pyridinyl]methylamino]-5,6-dimethylpyridazine-4-carbonitrile
PubChem CID56815452
Molecular FormulaC19H24N6
Molecular Weight336.44 g/mol
Exact Mass336.21
IUPAC Name3-[[6-(azepan-1-yl)-3-pyridinyl]methylamino]-5,6-dimethylpyridazine-4-carbonitrile
SMILESCc1nnc(NCc2ccc(N3CCCCCC3)nc2)c(C#N)c1C
InChIInChI=1S/C19H24N6/c1-14-15(2)23-24-19(17(14)11-20)22-13-16-7-8-18(21-12-16)25-9-5-3-4-6-10-25/h7-8,12H,3-6,9-10,13H2,1-2H3,(H,22,24)
InChIKeyLIXWVRPBQGWXGX-UHFFFAOYSA-N
XLogP3.35
TPSA77.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[6-(azepan-1-yl)-3-pyridinyl]methylamino]-6-fluorobenzonitrile
CID 60504847
3-[[4-(hydroxymethyl)phenyl]methylamino]-5,6-dimethylpyridazine-4-carbonitrile
CID 107232346
3-chloro-5-[(6-piperidin-1-yl-3-pyridinyl)methylamino]-1,2-thiazole-4-carbonitrile
CID 56796844
5-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]pyridine-2-carbonitrile
CID 133335271
3-(furan-3-ylmethylamino)-5,6-dimethylpyridazine-4-carbonitrile
CID 47282315
N-[(6-methyl-3-pyridinyl)methyl]-6-pyrrolidin-1-ylpyridin-3-amine
CID 104739555
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2,2-dimethylpropanamide
CID 71842545
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-methyl-1,2,4-thiadiazol-5-amine
CID 133317599
5,6-diethyl-3-[(2-piperidin-1-yl-4-pyridinyl)methylamino]pyridazine-4-carbonitrile
CID 133374296
1-methyl-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]-4,5-dihydroimidazol-2-amine
CID 120969672
3-[[3-(hydroxymethyl)phenyl]methylamino]-5,6-dimethylpyridazine-4-carbonitrile
CID 78942067
5,6-dimethyl-3-(2-pyrrolidin-1-ylpropylamino)pyridazine-4-carbonitrile
CID 112726802

Frequently Asked Questions

What is the IUPAC name of 3-[[6-(azepan-1-yl)-3-pyridinyl]methylamino]-5,6-dimethylpyridazine-4-carbonitrile?
The IUPAC name of 3-[[6-(azepan-1-yl)-3-pyridinyl]methylamino]-5,6-dimethylpyridazine-4-carbonitrile (CID 56815452) is 3-[[6-(azepan-1-yl)-3-pyridinyl]methylamino]-5,6-dimethylpyridazine-4-carbonitrile.
What is the SMILES notation for 3-[[6-(azepan-1-yl)-3-pyridinyl]methylamino]-5,6-dimethylpyridazine-4-carbonitrile?
The canonical SMILES for 3-[[6-(azepan-1-yl)-3-pyridinyl]methylamino]-5,6-dimethylpyridazine-4-carbonitrile is Cc1nnc(NCc2ccc(N3CCCCCC3)nc2)c(C#N)c1C.
What is the InChIKey of 3-[[6-(azepan-1-yl)-3-pyridinyl]methylamino]-5,6-dimethylpyridazine-4-carbonitrile?
The InChIKey is LIXWVRPBQGWXGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6/c1-14-15(2)23-24-19(17(14)11-20)22-13-16-7-8-18(21-12-16)25-9-5-3-4-6-10-25/h7-8,12H,3-6,9-10,13H2,1-2H3,(H,22,24).
What are the key properties of 3-[[6-(azepan-1-yl)-3-pyridinyl]methylamino]-5,6-dimethylpyridazine-4-carbonitrile?
3-[[6-(azepan-1-yl)-3-pyridinyl]methylamino]-5,6-dimethylpyridazine-4-carbonitrile has a molecular weight of 336.44 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-(azepan-1-yl)-3-pyridinyl]methylamino]-5,6-dimethylpyridazine-4-carbonitrile is sourced from PubChem (CID 56815452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).