4-(2-amino-6-ethylpyridine-4-carbonyl)-1-methyl-1,4-diazepan-2-one

C14H20N4O2 — CID 102892503

IUPAC4-(2-amino-6-ethylpyridine-4-carbonyl)-1-methyl-1,4-diazepan-2-one
SMILESCCc1cc(C(=O)N2CCCN(C)C(=O)C2)cc(N)n1
InChIInChI=1S/C14H20N4O2/c1-3-11-7-10(8-12(15)16-11)14(20)18-6-4-5-17(2)13(19)9-18/h7-8H,3-6,9H2,1-2H3,(H2,15,16)
InChIKeyYCNYNKZOQYKUND-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.53
Rot. Bonds2

About 4-(2-amino-6-ethylpyridine-4-carbonyl)-1-methyl-1,4-diazepan-2-one

4-(2-amino-6-ethylpyridine-4-carbonyl)-1-methyl-1,4-diazepan-2-one (PubChem CID 102892503) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 4-(2-amino-6-ethylpyridine-4-carbonyl)-1-methyl-1,4-diazepan-2-one.

Molecular Properties

Compound Name4-(2-amino-6-ethylpyridine-4-carbonyl)-1-methyl-1,4-diazepan-2-one
PubChem CID102892503
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name4-(2-amino-6-ethylpyridine-4-carbonyl)-1-methyl-1,4-diazepan-2-one
SMILESCCc1cc(C(=O)N2CCCN(C)C(=O)C2)cc(N)n1
InChIInChI=1S/C14H20N4O2/c1-3-11-7-10(8-12(15)16-11)14(20)18-6-4-5-17(2)13(19)9-18/h7-8H,3-6,9H2,1-2H3,(H2,15,16)
InChIKeyYCNYNKZOQYKUND-UHFFFAOYSA-N
XLogP0.53
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-6-ethylpyridine-4-carbonyl)-1-methyl-1,4-diazepan-2-one?
The IUPAC name of 4-(2-amino-6-ethylpyridine-4-carbonyl)-1-methyl-1,4-diazepan-2-one (CID 102892503) is 4-(2-amino-6-ethylpyridine-4-carbonyl)-1-methyl-1,4-diazepan-2-one.
What is the SMILES notation for 4-(2-amino-6-ethylpyridine-4-carbonyl)-1-methyl-1,4-diazepan-2-one?
The canonical SMILES for 4-(2-amino-6-ethylpyridine-4-carbonyl)-1-methyl-1,4-diazepan-2-one is CCc1cc(C(=O)N2CCCN(C)C(=O)C2)cc(N)n1.
What is the InChIKey of 4-(2-amino-6-ethylpyridine-4-carbonyl)-1-methyl-1,4-diazepan-2-one?
The InChIKey is YCNYNKZOQYKUND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-3-11-7-10(8-12(15)16-11)14(20)18-6-4-5-17(2)13(19)9-18/h7-8H,3-6,9H2,1-2H3,(H2,15,16).
What are the key properties of 4-(2-amino-6-ethylpyridine-4-carbonyl)-1-methyl-1,4-diazepan-2-one?
4-(2-amino-6-ethylpyridine-4-carbonyl)-1-methyl-1,4-diazepan-2-one has a molecular weight of 276.34 g/mol, XLogP of 0.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-6-ethylpyridine-4-carbonyl)-1-methyl-1,4-diazepan-2-one is sourced from PubChem (CID 102892503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).