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

C13H16N4O — CID 102889041

IUPAC2-methyl-6-(4-methyl-3-oxo-1,4-diazepan-1-yl)pyridine-4-carbonitrile
SMILESCc1cc(C#N)cc(N2CCCN(C)C(=O)C2)n1
InChIInChI=1S/C13H16N4O/c1-10-6-11(8-14)7-12(15-10)17-5-3-4-16(2)13(18)9-17/h6-7H,3-5,9H2,1-2H3
InChIKeyCIWPTGNFMQWGAT-UHFFFAOYSA-N
MW244.30 g/mol
LogP0.93
Rot. Bonds1

About 2-methyl-6-(4-methyl-3-oxo-1,4-diazepan-1-yl)pyridine-4-carbonitrile

2-methyl-6-(4-methyl-3-oxo-1,4-diazepan-1-yl)pyridine-4-carbonitrile (PubChem CID 102889041) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 2-methyl-6-(4-methyl-3-oxo-1,4-diazepan-1-yl)pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-methyl-6-(4-methyl-3-oxo-1,4-diazepan-1-yl)pyridine-4-carbonitrile
PubChem CID102889041
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name2-methyl-6-(4-methyl-3-oxo-1,4-diazepan-1-yl)pyridine-4-carbonitrile
SMILESCc1cc(C#N)cc(N2CCCN(C)C(=O)C2)n1
InChIInChI=1S/C13H16N4O/c1-10-6-11(8-14)7-12(15-10)17-5-3-4-16(2)13(18)9-17/h6-7H,3-5,9H2,1-2H3
InChIKeyCIWPTGNFMQWGAT-UHFFFAOYSA-N
XLogP0.93
TPSA60.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-6-(4-methyl-3-oxo-1,4-diazepan-1-yl)pyridine-3-carbonitrile
CID 103469314
4-(4-methyl-3-oxo-1,4-diazepan-1-yl)benzonitrile
CID 102846620
2-(3-formylpiperidin-1-yl)-6-methylpyridine-4-carbonitrile
CID 114770482
4-(2,6-diaminopyrimidin-4-yl)-1-methyl-1,4-diazepan-2-one
CID 102887852
4-(6-bromo-2-tert-butylpyrimidin-4-yl)-1-methyl-1,4-diazepan-2-one
CID 102891514
4-[2-amino-6-(methylamino)pyrimidin-4-yl]-1-methyl-1,4-diazepan-2-one
CID 102887789
2-methyl-6-(3-methylpyrrolidin-1-yl)pyridine-4-carbonitrile
CID 114765932
4-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]-1-methyl-1,4-diazepan-2-one
CID 106773361
2-[(3R)-3-hydroxypyrrolidin-1-yl]-6-methylpyridine-4-carbonitrile
CID 104969574
2-[1-(4-cyano-6-methyl-2-pyridinyl)piperidin-3-yl]-2-methylpropanoic acid
CID 114765581
1-methyl-4-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)-1,4-diazepan-2-one
CID 136865956
4-[(1R)-1-hydroxyethyl]-3-(4-methyl-3-oxo-1,4-diazepan-1-yl)benzonitrile
CID 102889533

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(4-methyl-3-oxo-1,4-diazepan-1-yl)pyridine-4-carbonitrile?
The IUPAC name of 2-methyl-6-(4-methyl-3-oxo-1,4-diazepan-1-yl)pyridine-4-carbonitrile (CID 102889041) is 2-methyl-6-(4-methyl-3-oxo-1,4-diazepan-1-yl)pyridine-4-carbonitrile.
What is the SMILES notation for 2-methyl-6-(4-methyl-3-oxo-1,4-diazepan-1-yl)pyridine-4-carbonitrile?
The canonical SMILES for 2-methyl-6-(4-methyl-3-oxo-1,4-diazepan-1-yl)pyridine-4-carbonitrile is Cc1cc(C#N)cc(N2CCCN(C)C(=O)C2)n1.
What is the InChIKey of 2-methyl-6-(4-methyl-3-oxo-1,4-diazepan-1-yl)pyridine-4-carbonitrile?
The InChIKey is CIWPTGNFMQWGAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-10-6-11(8-14)7-12(15-10)17-5-3-4-16(2)13(18)9-17/h6-7H,3-5,9H2,1-2H3.
What are the key properties of 2-methyl-6-(4-methyl-3-oxo-1,4-diazepan-1-yl)pyridine-4-carbonitrile?
2-methyl-6-(4-methyl-3-oxo-1,4-diazepan-1-yl)pyridine-4-carbonitrile has a molecular weight of 244.30 g/mol, XLogP of 0.93, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(4-methyl-3-oxo-1,4-diazepan-1-yl)pyridine-4-carbonitrile is sourced from PubChem (CID 102889041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).