1-methyl-4-(5-methylpyrazine-2-carbonyl)-1,4-diazepane-6-carboxamide

C13H19N5O2 — CID 110098404

IUPAC1-methyl-4-(5-methylpyrazine-2-carbonyl)-1,4-diazepane-6-carboxamide
SMILESCc1cnc(C(=O)N2CCN(C)CC(C(N)=O)C2)cn1
InChIInChI=1S/C13H19N5O2/c1-9-5-16-11(6-15-9)13(20)18-4-3-17(2)7-10(8-18)12(14)19/h5-6,10H,3-4,7-8H2,1-2H3,(H2,14,19)
InChIKeyKVWYVIKMSZBJKO-UHFFFAOYSA-N
MW277.33 g/mol
LogP-0.73
Rot. Bonds2

About 1-methyl-4-(5-methylpyrazine-2-carbonyl)-1,4-diazepane-6-carboxamide

1-methyl-4-(5-methylpyrazine-2-carbonyl)-1,4-diazepane-6-carboxamide (PubChem CID 110098404) has the molecular formula C13H19N5O2 and a molecular weight of 277.33 g/mol. Its IUPAC name is 1-methyl-4-(5-methylpyrazine-2-carbonyl)-1,4-diazepane-6-carboxamide.

Molecular Properties

Compound Name1-methyl-4-(5-methylpyrazine-2-carbonyl)-1,4-diazepane-6-carboxamide
PubChem CID110098404
Molecular FormulaC13H19N5O2
Molecular Weight277.33 g/mol
Exact Mass277.15
IUPAC Name1-methyl-4-(5-methylpyrazine-2-carbonyl)-1,4-diazepane-6-carboxamide
SMILESCc1cnc(C(=O)N2CCN(C)CC(C(N)=O)C2)cn1
InChIInChI=1S/C13H19N5O2/c1-9-5-16-11(6-15-9)13(20)18-4-3-17(2)7-10(8-18)12(14)19/h5-6,10H,3-4,7-8H2,1-2H3,(H2,14,19)
InChIKeyKVWYVIKMSZBJKO-UHFFFAOYSA-N
XLogP-0.73
TPSA92.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 5-0.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-methyl-4-(5-methylpyrazine-2-carbonyl)-1,4-diazepane-6-carboxamide 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 1-methyl-4-(5-methylpyrazine-2-carbonyl)-1,4-diazepane-6-carboxamide?
The IUPAC name of 1-methyl-4-(5-methylpyrazine-2-carbonyl)-1,4-diazepane-6-carboxamide (CID 110098404) is 1-methyl-4-(5-methylpyrazine-2-carbonyl)-1,4-diazepane-6-carboxamide.
What is the SMILES notation for 1-methyl-4-(5-methylpyrazine-2-carbonyl)-1,4-diazepane-6-carboxamide?
The canonical SMILES for 1-methyl-4-(5-methylpyrazine-2-carbonyl)-1,4-diazepane-6-carboxamide is Cc1cnc(C(=O)N2CCN(C)CC(C(N)=O)C2)cn1.
What is the InChIKey of 1-methyl-4-(5-methylpyrazine-2-carbonyl)-1,4-diazepane-6-carboxamide?
The InChIKey is KVWYVIKMSZBJKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2/c1-9-5-16-11(6-15-9)13(20)18-4-3-17(2)7-10(8-18)12(14)19/h5-6,10H,3-4,7-8H2,1-2H3,(H2,14,19).
What are the key properties of 1-methyl-4-(5-methylpyrazine-2-carbonyl)-1,4-diazepane-6-carboxamide?
1-methyl-4-(5-methylpyrazine-2-carbonyl)-1,4-diazepane-6-carboxamide has a molecular weight of 277.33 g/mol, XLogP of -0.73, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(5-methylpyrazine-2-carbonyl)-1,4-diazepane-6-carboxamide is sourced from PubChem (CID 110098404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).