5-amino-6-(4-methyl-3-oxo-1,4-diazepan-1-yl)pyridine-3-carbonitrile

C12H15N5O — CID 103469314

IUPAC5-amino-6-(4-methyl-3-oxo-1,4-diazepan-1-yl)pyridine-3-carbonitrile
SMILESCN1CCCN(c2ncc(C#N)cc2N)CC1=O
InChIInChI=1S/C12H15N5O/c1-16-3-2-4-17(8-11(16)18)12-10(14)5-9(6-13)7-15-12/h5,7H,2-4,8,14H2,1H3
InChIKeyALSIDHRVDILABO-UHFFFAOYSA-N
MW245.29 g/mol
LogP0.20
Rot. Bonds1

About 5-amino-6-(4-methyl-3-oxo-1,4-diazepan-1-yl)pyridine-3-carbonitrile

5-amino-6-(4-methyl-3-oxo-1,4-diazepan-1-yl)pyridine-3-carbonitrile (PubChem CID 103469314) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is 5-amino-6-(4-methyl-3-oxo-1,4-diazepan-1-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-amino-6-(4-methyl-3-oxo-1,4-diazepan-1-yl)pyridine-3-carbonitrile
PubChem CID103469314
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name5-amino-6-(4-methyl-3-oxo-1,4-diazepan-1-yl)pyridine-3-carbonitrile
SMILESCN1CCCN(c2ncc(C#N)cc2N)CC1=O
InChIInChI=1S/C12H15N5O/c1-16-3-2-4-17(8-11(16)18)12-10(14)5-9(6-13)7-15-12/h5,7H,2-4,8,14H2,1H3
InChIKeyALSIDHRVDILABO-UHFFFAOYSA-N
XLogP0.20
TPSA86.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-methyl-3-oxo-1,4-diazepan-1-yl)benzonitrile
CID 102846620
2-methyl-6-(4-methyl-3-oxo-1,4-diazepan-1-yl)pyridine-4-carbonitrile
CID 102889041
5-amino-6-(3-hydroxypiperidin-1-yl)pyridine-3-carbonitrile
CID 103467569
4-(6-amino-5-chloropyrimidin-4-yl)-1-methyl-1,4-diazepan-2-one
CID 100652961
5-amino-6-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)pyridine-3-carbonitrile
CID 103468368
4-(2-amino-4-pyridinyl)-1-methyl-1,4-diazepan-2-one
CID 102887615
4-(5-amino-6-methoxypyrimidin-4-yl)-1-methyl-1,4-diazepan-2-one
CID 102888328
2-(azetidin-1-yl)pyridine-3,5-dicarbonitrile
CID 123677104
N-[1-(3-amino-5-cyano-2-pyridinyl)piperidin-4-yl]acetamide
CID 103469010
2-(4-methyl-3-oxo-1,4-diazepan-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 102846633
4-[5-amino-2-(trifluoromethyl)-4-pyridinyl]-1-methyl-1,4-diazepan-2-one
CID 106748146
5-amino-6-[4-(hydroxymethyl)piperidin-1-yl]pyridine-3-carbonitrile
CID 103467481

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(4-methyl-3-oxo-1,4-diazepan-1-yl)pyridine-3-carbonitrile?
The IUPAC name of 5-amino-6-(4-methyl-3-oxo-1,4-diazepan-1-yl)pyridine-3-carbonitrile (CID 103469314) is 5-amino-6-(4-methyl-3-oxo-1,4-diazepan-1-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 5-amino-6-(4-methyl-3-oxo-1,4-diazepan-1-yl)pyridine-3-carbonitrile?
The canonical SMILES for 5-amino-6-(4-methyl-3-oxo-1,4-diazepan-1-yl)pyridine-3-carbonitrile is CN1CCCN(c2ncc(C#N)cc2N)CC1=O.
What is the InChIKey of 5-amino-6-(4-methyl-3-oxo-1,4-diazepan-1-yl)pyridine-3-carbonitrile?
The InChIKey is ALSIDHRVDILABO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-16-3-2-4-17(8-11(16)18)12-10(14)5-9(6-13)7-15-12/h5,7H,2-4,8,14H2,1H3.
What are the key properties of 5-amino-6-(4-methyl-3-oxo-1,4-diazepan-1-yl)pyridine-3-carbonitrile?
5-amino-6-(4-methyl-3-oxo-1,4-diazepan-1-yl)pyridine-3-carbonitrile has a molecular weight of 245.29 g/mol, XLogP of 0.20, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(4-methyl-3-oxo-1,4-diazepan-1-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 103469314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).