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

C13H18N4O2 — CID 102892502

IUPAC4-(2-amino-6-methylpyridine-4-carbonyl)-1-methyl-1,4-diazepan-2-one
SMILESCc1cc(C(=O)N2CCCN(C)C(=O)C2)cc(N)n1
InChIInChI=1S/C13H18N4O2/c1-9-6-10(7-11(14)15-9)13(19)17-5-3-4-16(2)12(18)8-17/h6-7H,3-5,8H2,1-2H3,(H2,14,15)
InChIKeyOSGOIQGNSMNULP-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.28
Rot. Bonds1

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

4-(2-amino-6-methylpyridine-4-carbonyl)-1-methyl-1,4-diazepan-2-one (PubChem CID 102892502) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 4-(2-amino-6-methylpyridine-4-carbonyl)-1-methyl-1,4-diazepan-2-one.

Molecular Properties

Compound Name4-(2-amino-6-methylpyridine-4-carbonyl)-1-methyl-1,4-diazepan-2-one
PubChem CID102892502
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name4-(2-amino-6-methylpyridine-4-carbonyl)-1-methyl-1,4-diazepan-2-one
SMILESCc1cc(C(=O)N2CCCN(C)C(=O)C2)cc(N)n1
InChIInChI=1S/C13H18N4O2/c1-9-6-10(7-11(14)15-9)13(19)17-5-3-4-16(2)12(18)8-17/h6-7H,3-5,8H2,1-2H3,(H2,14,15)
InChIKeyOSGOIQGNSMNULP-UHFFFAOYSA-N
XLogP0.28
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(2-amino-6-methylpyridine-4-carbonyl)-1-methyl-1,4-diazepan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-6-methylpyridine-4-carbonyl)-1-methyl-1,4-diazepan-2-one?
The IUPAC name of 4-(2-amino-6-methylpyridine-4-carbonyl)-1-methyl-1,4-diazepan-2-one (CID 102892502) is 4-(2-amino-6-methylpyridine-4-carbonyl)-1-methyl-1,4-diazepan-2-one.
What is the SMILES notation for 4-(2-amino-6-methylpyridine-4-carbonyl)-1-methyl-1,4-diazepan-2-one?
The canonical SMILES for 4-(2-amino-6-methylpyridine-4-carbonyl)-1-methyl-1,4-diazepan-2-one is Cc1cc(C(=O)N2CCCN(C)C(=O)C2)cc(N)n1.
What is the InChIKey of 4-(2-amino-6-methylpyridine-4-carbonyl)-1-methyl-1,4-diazepan-2-one?
The InChIKey is OSGOIQGNSMNULP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-9-6-10(7-11(14)15-9)13(19)17-5-3-4-16(2)12(18)8-17/h6-7H,3-5,8H2,1-2H3,(H2,14,15).
What are the key properties of 4-(2-amino-6-methylpyridine-4-carbonyl)-1-methyl-1,4-diazepan-2-one?
4-(2-amino-6-methylpyridine-4-carbonyl)-1-methyl-1,4-diazepan-2-one has a molecular weight of 262.31 g/mol, XLogP of 0.28, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-6-methylpyridine-4-carbonyl)-1-methyl-1,4-diazepan-2-one is sourced from PubChem (CID 102892502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).