3-amino-N-methyl-6-[3-[(5-methylpyrazin-2-yl)methylcarbamoyl]phenyl]pyrazine-2-carboxamide

C19H19N7O2 — CID 68651018

IUPAC3-amino-N-methyl-6-[3-[(5-methylpyrazin-2-yl)methylcarbamoyl]phenyl]pyrazine-2-carboxamide
SMILESCNC(=O)c1nc(-c2cccc(C(=O)NCc3cnc(C)cn3)c2)cnc1N
InChIInChI=1S/C19H19N7O2/c1-11-7-23-14(8-22-11)9-25-18(27)13-5-3-4-12(6-13)15-10-24-17(20)16(26-15)19(28)21-2/h3-8,10H,9H2,1-2H3,(H2,20,24)(H,21,28)(H,25,27)
InChIKeyLCMCKUFIHONFKN-UHFFFAOYSA-N
MW377.41 g/mol
LogP1.11
Rot. Bonds5

About 3-amino-N-methyl-6-[3-[(5-methylpyrazin-2-yl)methylcarbamoyl]phenyl]pyrazine-2-carboxamide

3-amino-N-methyl-6-[3-[(5-methylpyrazin-2-yl)methylcarbamoyl]phenyl]pyrazine-2-carboxamide (PubChem CID 68651018) has the molecular formula C19H19N7O2 and a molecular weight of 377.41 g/mol. Its IUPAC name is 3-amino-N-methyl-6-[3-[(5-methylpyrazin-2-yl)methylcarbamoyl]phenyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-methyl-6-[3-[(5-methylpyrazin-2-yl)methylcarbamoyl]phenyl]pyrazine-2-carboxamide
PubChem CID68651018
Molecular FormulaC19H19N7O2
Molecular Weight377.41 g/mol
Exact Mass377.16
IUPAC Name3-amino-N-methyl-6-[3-[(5-methylpyrazin-2-yl)methylcarbamoyl]phenyl]pyrazine-2-carboxamide
SMILESCNC(=O)c1nc(-c2cccc(C(=O)NCc3cnc(C)cn3)c2)cnc1N
InChIInChI=1S/C19H19N7O2/c1-11-7-23-14(8-22-11)9-25-18(27)13-5-3-4-12(6-13)15-10-24-17(20)16(26-15)19(28)21-2/h3-8,10H,9H2,1-2H3,(H2,20,24)(H,21,28)(H,25,27)
InChIKeyLCMCKUFIHONFKN-UHFFFAOYSA-N
XLogP1.11
TPSA135.78 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.41
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 3-amino-N-methyl-6-[3-[(5-methylpyrazin-2-yl)methylcarbamoyl]phenyl]pyrazine-2-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 3-amino-N-methyl-6-[3-[(5-methylpyrazin-2-yl)methylcarbamoyl]phenyl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-methyl-6-[3-[(5-methylpyrazin-2-yl)methylcarbamoyl]phenyl]pyrazine-2-carboxamide (CID 68651018) is 3-amino-N-methyl-6-[3-[(5-methylpyrazin-2-yl)methylcarbamoyl]phenyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-methyl-6-[3-[(5-methylpyrazin-2-yl)methylcarbamoyl]phenyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-methyl-6-[3-[(5-methylpyrazin-2-yl)methylcarbamoyl]phenyl]pyrazine-2-carboxamide is CNC(=O)c1nc(-c2cccc(C(=O)NCc3cnc(C)cn3)c2)cnc1N.
What is the InChIKey of 3-amino-N-methyl-6-[3-[(5-methylpyrazin-2-yl)methylcarbamoyl]phenyl]pyrazine-2-carboxamide?
The InChIKey is LCMCKUFIHONFKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7O2/c1-11-7-23-14(8-22-11)9-25-18(27)13-5-3-4-12(6-13)15-10-24-17(20)16(26-15)19(28)21-2/h3-8,10H,9H2,1-2H3,(H2,20,24)(H,21,28)(H,25,27).
What are the key properties of 3-amino-N-methyl-6-[3-[(5-methylpyrazin-2-yl)methylcarbamoyl]phenyl]pyrazine-2-carboxamide?
3-amino-N-methyl-6-[3-[(5-methylpyrazin-2-yl)methylcarbamoyl]phenyl]pyrazine-2-carboxamide has a molecular weight of 377.41 g/mol, XLogP of 1.11, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-6-[3-[(5-methylpyrazin-2-yl)methylcarbamoyl]phenyl]pyrazine-2-carboxamide is sourced from PubChem (CID 68651018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).