[6-(dimethylamino)-3-pyridinyl]-(4-pyrazin-2-yl-1,4-diazepan-1-yl)methanone

C17H22N6O — CID 138378091

IUPAC[6-(dimethylamino)-3-pyridinyl]-(4-pyrazin-2-yl-1,4-diazepan-1-yl)methanone
SMILESCN(C)c1ccc(C(=O)N2CCCN(c3cnccn3)CC2)cn1
InChIInChI=1S/C17H22N6O/c1-21(2)15-5-4-14(12-20-15)17(24)23-9-3-8-22(10-11-23)16-13-18-6-7-19-16/h4-7,12-13H,3,8-11H2,1-2H3
InChIKeyBMRCUPUNYHOSGK-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.29
Rot. Bonds3

About [6-(dimethylamino)-3-pyridinyl]-(4-pyrazin-2-yl-1,4-diazepan-1-yl)methanone

[6-(dimethylamino)-3-pyridinyl]-(4-pyrazin-2-yl-1,4-diazepan-1-yl)methanone (PubChem CID 138378091) has the molecular formula C17H22N6O and a molecular weight of 326.40 g/mol. Its IUPAC name is [6-(dimethylamino)-3-pyridinyl]-(4-pyrazin-2-yl-1,4-diazepan-1-yl)methanone.

Molecular Properties

Compound Name[6-(dimethylamino)-3-pyridinyl]-(4-pyrazin-2-yl-1,4-diazepan-1-yl)methanone
PubChem CID138378091
Molecular FormulaC17H22N6O
Molecular Weight326.40 g/mol
Exact Mass326.19
IUPAC Name[6-(dimethylamino)-3-pyridinyl]-(4-pyrazin-2-yl-1,4-diazepan-1-yl)methanone
SMILESCN(C)c1ccc(C(=O)N2CCCN(c3cnccn3)CC2)cn1
InChIInChI=1S/C17H22N6O/c1-21(2)15-5-4-14(12-20-15)17(24)23-9-3-8-22(10-11-23)16-13-18-6-7-19-16/h4-7,12-13H,3,8-11H2,1-2H3
InChIKeyBMRCUPUNYHOSGK-UHFFFAOYSA-N
XLogP1.29
TPSA65.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4-chlorophenyl)-(4-pyrazin-2-yl-1,4-diazepan-1-yl)methanone
CID 122132459
[6-(dimethylamino)-3-pyridinyl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 78859312
[4-(2-methylpropyl)phenyl]-(4-pyrazin-2-yl-1,4-diazepan-1-yl)methanone
CID 138378659
[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-[6-(dimethylamino)-3-pyridinyl]methanone
CID 56820288
[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-[6-(dimethylamino)-3-pyridinyl]methanone
CID 86981441
[6-(dimethylamino)-3-pyridinyl]-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone
CID 56819304
[4-[(R)-methylsulfinyl]phenyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 33113092
(3,5-dimethylphenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 42023194
[6-(dimethylamino)-3-pyridinyl]-[4-(2-methyl-5-propylpyrimidin-4-yl)-1,4-diazepan-1-yl]methanone
CID 138386158
4-[6-(dimethylamino)pyridine-3-carbonyl]-1,4-diazepan-2-one
CID 62896061
(3S)-1-[6-(dimethylamino)pyridine-3-carbonyl]piperidine-3-carboxylic acid
CID 81120843
[6-(dimethylamino)-3-pyridinyl]-[(4R)-4-[[6-(dimethylamino)-3-pyridinyl]amino]azepan-1-yl]methanone
CID 129343902

Frequently Asked Questions

What is the IUPAC name of [6-(dimethylamino)-3-pyridinyl]-(4-pyrazin-2-yl-1,4-diazepan-1-yl)methanone?
The IUPAC name of [6-(dimethylamino)-3-pyridinyl]-(4-pyrazin-2-yl-1,4-diazepan-1-yl)methanone (CID 138378091) is [6-(dimethylamino)-3-pyridinyl]-(4-pyrazin-2-yl-1,4-diazepan-1-yl)methanone.
What is the SMILES notation for [6-(dimethylamino)-3-pyridinyl]-(4-pyrazin-2-yl-1,4-diazepan-1-yl)methanone?
The canonical SMILES for [6-(dimethylamino)-3-pyridinyl]-(4-pyrazin-2-yl-1,4-diazepan-1-yl)methanone is CN(C)c1ccc(C(=O)N2CCCN(c3cnccn3)CC2)cn1.
What is the InChIKey of [6-(dimethylamino)-3-pyridinyl]-(4-pyrazin-2-yl-1,4-diazepan-1-yl)methanone?
The InChIKey is BMRCUPUNYHOSGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O/c1-21(2)15-5-4-14(12-20-15)17(24)23-9-3-8-22(10-11-23)16-13-18-6-7-19-16/h4-7,12-13H,3,8-11H2,1-2H3.
What are the key properties of [6-(dimethylamino)-3-pyridinyl]-(4-pyrazin-2-yl-1,4-diazepan-1-yl)methanone?
[6-(dimethylamino)-3-pyridinyl]-(4-pyrazin-2-yl-1,4-diazepan-1-yl)methanone has a molecular weight of 326.40 g/mol, XLogP of 1.29, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(dimethylamino)-3-pyridinyl]-(4-pyrazin-2-yl-1,4-diazepan-1-yl)methanone is sourced from PubChem (CID 138378091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).