(6-methoxypyridazin-3-yl)-[4-[methyl(pyridin-2-ylmethyl)amino]azepan-1-yl]methanone

C19H25N5O2 — CID 128996392

IUPAC(6-methoxypyridazin-3-yl)-[4-[methyl(pyridin-2-ylmethyl)amino]azepan-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCCC(N(C)Cc3ccccn3)CC2)nn1
InChIInChI=1S/C19H25N5O2/c1-23(14-15-6-3-4-11-20-15)16-7-5-12-24(13-10-16)19(25)17-8-9-18(26-2)22-21-17/h3-4,6,8-9,11,16H,5,7,10,12-14H2,1-2H3
InChIKeyRVQKKDIZRMSJDO-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.01
Rot. Bonds5

About (6-methoxypyridazin-3-yl)-[4-[methyl(pyridin-2-ylmethyl)amino]azepan-1-yl]methanone

(6-methoxypyridazin-3-yl)-[4-[methyl(pyridin-2-ylmethyl)amino]azepan-1-yl]methanone (PubChem CID 128996392) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is (6-methoxypyridazin-3-yl)-[4-[methyl(pyridin-2-ylmethyl)amino]azepan-1-yl]methanone.

Molecular Properties

Compound Name(6-methoxypyridazin-3-yl)-[4-[methyl(pyridin-2-ylmethyl)amino]azepan-1-yl]methanone
PubChem CID128996392
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name(6-methoxypyridazin-3-yl)-[4-[methyl(pyridin-2-ylmethyl)amino]azepan-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCCC(N(C)Cc3ccccn3)CC2)nn1
InChIInChI=1S/C19H25N5O2/c1-23(14-15-6-3-4-11-20-15)16-7-5-12-24(13-10-16)19(25)17-8-9-18(26-2)22-21-17/h3-4,6,8-9,11,16H,5,7,10,12-14H2,1-2H3
InChIKeyRVQKKDIZRMSJDO-UHFFFAOYSA-N
XLogP2.01
TPSA71.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (6-methoxypyridazin-3-yl)-[4-[methyl(pyridin-2-ylmethyl)amino]azepan-1-yl]methanone with MolForge

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Related Compounds

1-[(4S)-4-[methyl(pyridin-2-ylmethyl)amino]azepan-1-yl]-3-pyridin-2-ylpropan-1-one
CID 129473864
1-[4-[methyl(pyridin-2-ylmethyl)amino]azepan-1-yl]-3-pyridin-2-ylpropan-1-one
CID 129005727
1-[4-[methyl(pyridin-2-ylmethyl)amino]piperidin-1-yl]ethanone
CID 83290596
[(4R)-4-[methyl(pyridin-2-ylmethyl)amino]azepan-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 129477768
4-[(4S)-4-[methyl(pyridin-2-ylmethyl)amino]azepane-1-carbonyl]benzonitrile
CID 129343587
(5-chlorofuran-2-yl)-[(4R)-4-[methyl(pyridin-2-ylmethyl)amino]azepan-1-yl]methanone
CID 129473994
(3-methyl-1,2-oxazol-5-yl)-[4-[methyl(pyridin-2-ylmethyl)amino]azepan-1-yl]methanone
CID 128967603
4-[(4R)-4-[methyl(pyridin-2-ylmethyl)amino]azepane-1-carbonyl]-1H-pyrrole-2-carbonitrile
CID 129474241
(4R)-N-cyclopent-3-en-1-yl-4-[methyl(pyridin-2-ylmethyl)amino]azepane-1-carboxamide
CID 129331309
(2R)-2-(cyclopropylmethoxy)-1-[(4S)-4-[methyl(pyridin-2-ylmethyl)amino]azepan-1-yl]propan-1-one
CID 129341190
2-methyl-1-[4-[methyl(pyridin-2-ylmethyl)amino]azepan-1-yl]-2-morpholin-4-ylpropan-1-one
CID 126815007
[(4R)-4-(dimethylamino)azepan-1-yl]-pyridin-2-ylmethanone
CID 95710719

Frequently Asked Questions

What is the IUPAC name of (6-methoxypyridazin-3-yl)-[4-[methyl(pyridin-2-ylmethyl)amino]azepan-1-yl]methanone?
The IUPAC name of (6-methoxypyridazin-3-yl)-[4-[methyl(pyridin-2-ylmethyl)amino]azepan-1-yl]methanone (CID 128996392) is (6-methoxypyridazin-3-yl)-[4-[methyl(pyridin-2-ylmethyl)amino]azepan-1-yl]methanone.
What is the SMILES notation for (6-methoxypyridazin-3-yl)-[4-[methyl(pyridin-2-ylmethyl)amino]azepan-1-yl]methanone?
The canonical SMILES for (6-methoxypyridazin-3-yl)-[4-[methyl(pyridin-2-ylmethyl)amino]azepan-1-yl]methanone is COc1ccc(C(=O)N2CCCC(N(C)Cc3ccccn3)CC2)nn1.
What is the InChIKey of (6-methoxypyridazin-3-yl)-[4-[methyl(pyridin-2-ylmethyl)amino]azepan-1-yl]methanone?
The InChIKey is RVQKKDIZRMSJDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-23(14-15-6-3-4-11-20-15)16-7-5-12-24(13-10-16)19(25)17-8-9-18(26-2)22-21-17/h3-4,6,8-9,11,16H,5,7,10,12-14H2,1-2H3.
What are the key properties of (6-methoxypyridazin-3-yl)-[4-[methyl(pyridin-2-ylmethyl)amino]azepan-1-yl]methanone?
(6-methoxypyridazin-3-yl)-[4-[methyl(pyridin-2-ylmethyl)amino]azepan-1-yl]methanone has a molecular weight of 355.44 g/mol, XLogP of 2.01, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxypyridazin-3-yl)-[4-[methyl(pyridin-2-ylmethyl)amino]azepan-1-yl]methanone is sourced from PubChem (CID 128996392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).