6-(4-acetyl-1,4-diazepan-1-yl)-3-aminopyridine-2-carbonitrile

C13H17N5O — CID 103468030

IUPAC6-(4-acetyl-1,4-diazepan-1-yl)-3-aminopyridine-2-carbonitrile
SMILESCC(=O)N1CCCN(c2ccc(N)c(C#N)n2)CC1
InChIInChI=1S/C13H17N5O/c1-10(19)17-5-2-6-18(8-7-17)13-4-3-11(15)12(9-14)16-13/h3-4H,2,5-8,15H2,1H3
InChIKeyZOLVFDIWKDQHBG-UHFFFAOYSA-N
MW259.31 g/mol
LogP0.59
Rot. Bonds1

About 6-(4-acetyl-1,4-diazepan-1-yl)-3-aminopyridine-2-carbonitrile

6-(4-acetyl-1,4-diazepan-1-yl)-3-aminopyridine-2-carbonitrile (PubChem CID 103468030) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 6-(4-acetyl-1,4-diazepan-1-yl)-3-aminopyridine-2-carbonitrile.

Molecular Properties

Compound Name6-(4-acetyl-1,4-diazepan-1-yl)-3-aminopyridine-2-carbonitrile
PubChem CID103468030
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name6-(4-acetyl-1,4-diazepan-1-yl)-3-aminopyridine-2-carbonitrile
SMILESCC(=O)N1CCCN(c2ccc(N)c(C#N)n2)CC1
InChIInChI=1S/C13H17N5O/c1-10(19)17-5-2-6-18(8-7-17)13-4-3-11(15)12(9-14)16-13/h3-4H,2,5-8,15H2,1H3
InChIKeyZOLVFDIWKDQHBG-UHFFFAOYSA-N
XLogP0.59
TPSA86.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-acetyl-1,4-diazepan-1-yl)pyridine-2-carbonitrile
CID 64594721
1-[4-(5-amino-6-methyl-2-pyridinyl)piperazin-1-yl]ethanone
CID 79020981
3-amino-6-(1,1-dioxo-1,4-thiazepan-4-yl)pyridine-2-carbonitrile
CID 114083342
1-[4-(5-amino-2-pyridinyl)-1,4-diazepan-1-yl]ethanone
CID 55004594
2-[1-(5-amino-6-cyano-2-pyridinyl)piperidin-4-yl]acetamide
CID 103467985
1-[4-(6-fluoro-2-pyridinyl)-1,4-diazepan-1-yl]ethanone
CID 55002941
1-[4-(6-hydrazinyl-2-pyridinyl)-1,4-diazepan-1-yl]ethanone
CID 80900082
3-amino-6-[3-(dimethylamino)piperidin-1-yl]pyridine-2-carbonitrile
CID 103468676
3-amino-6-(3,5-dimethylpiperidin-1-yl)pyridine-2-carbonitrile
CID 103467207
1-[4-(5-amino-4-methyl-2-pyridinyl)-1,4-diazepan-1-yl]ethanone
CID 79176493
tert-butyl 4-(5-amino-6-methyl-2-pyridinyl)-1,4-diazepane-1-carboxylate
CID 93206779
1-(5-amino-6-cyano-2-pyridinyl)piperidine-2-carboxamide
CID 103467973

Frequently Asked Questions

What is the IUPAC name of 6-(4-acetyl-1,4-diazepan-1-yl)-3-aminopyridine-2-carbonitrile?
The IUPAC name of 6-(4-acetyl-1,4-diazepan-1-yl)-3-aminopyridine-2-carbonitrile (CID 103468030) is 6-(4-acetyl-1,4-diazepan-1-yl)-3-aminopyridine-2-carbonitrile.
What is the SMILES notation for 6-(4-acetyl-1,4-diazepan-1-yl)-3-aminopyridine-2-carbonitrile?
The canonical SMILES for 6-(4-acetyl-1,4-diazepan-1-yl)-3-aminopyridine-2-carbonitrile is CC(=O)N1CCCN(c2ccc(N)c(C#N)n2)CC1.
What is the InChIKey of 6-(4-acetyl-1,4-diazepan-1-yl)-3-aminopyridine-2-carbonitrile?
The InChIKey is ZOLVFDIWKDQHBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-10(19)17-5-2-6-18(8-7-17)13-4-3-11(15)12(9-14)16-13/h3-4H,2,5-8,15H2,1H3.
What are the key properties of 6-(4-acetyl-1,4-diazepan-1-yl)-3-aminopyridine-2-carbonitrile?
6-(4-acetyl-1,4-diazepan-1-yl)-3-aminopyridine-2-carbonitrile has a molecular weight of 259.31 g/mol, XLogP of 0.59, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-acetyl-1,4-diazepan-1-yl)-3-aminopyridine-2-carbonitrile is sourced from PubChem (CID 103468030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).