(4-cyclohexyl-1,4-diazepan-1-yl)-[6-(methylamino)-3-pyridinyl]methanone

C18H28N4O — CID 28954139

IUPAC(4-cyclohexyl-1,4-diazepan-1-yl)-[6-(methylamino)-3-pyridinyl]methanone
SMILESCNc1ccc(C(=O)N2CCCN(C3CCCCC3)CC2)cn1
InChIInChI=1S/C18H28N4O/c1-19-17-9-8-15(14-20-17)18(23)22-11-5-10-21(12-13-22)16-6-3-2-4-7-16/h8-9,14,16H,2-7,10-13H2,1H3,(H,19,20)
InChIKeyKYSPYLUXXXKLNW-UHFFFAOYSA-N
MW316.45 g/mol
LogP2.60
Rot. Bonds3

About (4-cyclohexyl-1,4-diazepan-1-yl)-[6-(methylamino)-3-pyridinyl]methanone

(4-cyclohexyl-1,4-diazepan-1-yl)-[6-(methylamino)-3-pyridinyl]methanone (PubChem CID 28954139) has the molecular formula C18H28N4O and a molecular weight of 316.45 g/mol. Its IUPAC name is (4-cyclohexyl-1,4-diazepan-1-yl)-[6-(methylamino)-3-pyridinyl]methanone.

Molecular Properties

Compound Name(4-cyclohexyl-1,4-diazepan-1-yl)-[6-(methylamino)-3-pyridinyl]methanone
PubChem CID28954139
Molecular FormulaC18H28N4O
Molecular Weight316.45 g/mol
Exact Mass316.23
IUPAC Name(4-cyclohexyl-1,4-diazepan-1-yl)-[6-(methylamino)-3-pyridinyl]methanone
SMILESCNc1ccc(C(=O)N2CCCN(C3CCCCC3)CC2)cn1
InChIInChI=1S/C18H28N4O/c1-19-17-9-8-15(14-20-17)18(23)22-11-5-10-21(12-13-22)16-6-3-2-4-7-16/h8-9,14,16H,2-7,10-13H2,1H3,(H,19,20)
InChIKeyKYSPYLUXXXKLNW-UHFFFAOYSA-N
XLogP2.60
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4-cyclohexyl-1,4-diazepan-1-yl)-[6-(methylamino)-3-pyridinyl]methanone with MolForge

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Related Compounds

(4-cyclohexyl-1,4-diazepan-1-yl)-[6-(3-hydroxypropylamino)-3-pyridinyl]methanone
CID 56756423
(4-cyclohexyl-1,4-diazepan-1-yl)-[6-(pyridin-3-ylmethylamino)-3-pyridinyl]methanone
CID 29024042
(4-cyclopropylpiperazin-1-yl)-[6-(propylamino)-3-pyridinyl]methanone
CID 62177305
8-azaspiro[4.5]decan-8-yl-[6-(methylamino)-3-pyridinyl]methanone
CID 63161967
(4-cyclohexyl-1,4-diazepan-1-yl)-(4-pyrazin-2-ylphenyl)methanone
CID 119073848
(4-cyclohexylpiperazin-1-yl)-(6-pyridin-3-yl-3-pyridinyl)methanone
CID 53149742
[6-[[(1S,2S)-2-hydroxycyclohexyl]amino]-3-pyridinyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone
CID 56744422
[5-[3-(4-cyclobutyl-1,4-diazepane-1-carbonyl)azetidine-1-carbonyl]-2-pyridinyl] acetate
CID 175270953
(6-chloro-3-pyridinyl)-(4-cyclopropylpiperazin-1-yl)methanone
CID 61052707
[6-(cyclopropylamino)-3-pyridinyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone
CID 56742496
(4-cyclobutyl-1,4-diazepan-1-yl)-(4-ethylphenyl)methanone
CID 131702217
[2-(hydroxymethyl)pyrrolidin-1-yl]-[6-(methylamino)-3-pyridinyl]methanone
CID 62173422

Frequently Asked Questions

What is the IUPAC name of (4-cyclohexyl-1,4-diazepan-1-yl)-[6-(methylamino)-3-pyridinyl]methanone?
The IUPAC name of (4-cyclohexyl-1,4-diazepan-1-yl)-[6-(methylamino)-3-pyridinyl]methanone (CID 28954139) is (4-cyclohexyl-1,4-diazepan-1-yl)-[6-(methylamino)-3-pyridinyl]methanone.
What is the SMILES notation for (4-cyclohexyl-1,4-diazepan-1-yl)-[6-(methylamino)-3-pyridinyl]methanone?
The canonical SMILES for (4-cyclohexyl-1,4-diazepan-1-yl)-[6-(methylamino)-3-pyridinyl]methanone is CNc1ccc(C(=O)N2CCCN(C3CCCCC3)CC2)cn1.
What is the InChIKey of (4-cyclohexyl-1,4-diazepan-1-yl)-[6-(methylamino)-3-pyridinyl]methanone?
The InChIKey is KYSPYLUXXXKLNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O/c1-19-17-9-8-15(14-20-17)18(23)22-11-5-10-21(12-13-22)16-6-3-2-4-7-16/h8-9,14,16H,2-7,10-13H2,1H3,(H,19,20).
What are the key properties of (4-cyclohexyl-1,4-diazepan-1-yl)-[6-(methylamino)-3-pyridinyl]methanone?
(4-cyclohexyl-1,4-diazepan-1-yl)-[6-(methylamino)-3-pyridinyl]methanone has a molecular weight of 316.45 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclohexyl-1,4-diazepan-1-yl)-[6-(methylamino)-3-pyridinyl]methanone is sourced from PubChem (CID 28954139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).