3-amino-6-[4-(2-aminoethyl)phenyl]-N-(4-phenyl-3-pyridinyl)pyrazine-2-carboxamide

C24H22N6O — CID 167705710

IUPAC3-amino-6-[4-(2-aminoethyl)phenyl]-N-(4-phenyl-3-pyridinyl)pyrazine-2-carboxamide
SMILESNCCc1ccc(-c2cnc(N)c(C(=O)Nc3cnccc3-c3ccccc3)n2)cc1
InChIInChI=1S/C24H22N6O/c25-12-10-16-6-8-18(9-7-16)20-15-28-23(26)22(29-20)24(31)30-21-14-27-13-11-19(21)17-4-2-1-3-5-17/h1-9,11,13-15H,10,12,25H2,(H2,26,28)(H,30,31)
InChIKeyAKMYQAHAESRPEO-UHFFFAOYSA-N
MW410.48 g/mol
LogP3.54
Rot. Bonds6

About 3-amino-6-[4-(2-aminoethyl)phenyl]-N-(4-phenyl-3-pyridinyl)pyrazine-2-carboxamide

3-amino-6-[4-(2-aminoethyl)phenyl]-N-(4-phenyl-3-pyridinyl)pyrazine-2-carboxamide (PubChem CID 167705710) has the molecular formula C24H22N6O and a molecular weight of 410.48 g/mol. Its IUPAC name is 3-amino-6-[4-(2-aminoethyl)phenyl]-N-(4-phenyl-3-pyridinyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-[4-(2-aminoethyl)phenyl]-N-(4-phenyl-3-pyridinyl)pyrazine-2-carboxamide
PubChem CID167705710
Molecular FormulaC24H22N6O
Molecular Weight410.48 g/mol
Exact Mass410.19
IUPAC Name3-amino-6-[4-(2-aminoethyl)phenyl]-N-(4-phenyl-3-pyridinyl)pyrazine-2-carboxamide
SMILESNCCc1ccc(-c2cnc(N)c(C(=O)Nc3cnccc3-c3ccccc3)n2)cc1
InChIInChI=1S/C24H22N6O/c25-12-10-16-6-8-18(9-7-16)20-15-28-23(26)22(29-20)24(31)30-21-14-27-13-11-19(21)17-4-2-1-3-5-17/h1-9,11,13-15H,10,12,25H2,(H2,26,28)(H,30,31)
InChIKeyAKMYQAHAESRPEO-UHFFFAOYSA-N
XLogP3.54
TPSA119.81 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-amino-6-[4-(2-aminoethyl)phenyl]-N-(4-phenyl-3-pyridinyl)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

Related Compounds

3-amino-6-[4-(2-aminoethyl)phenyl]-N-[4-[(2-amino-2-oxoethyl)-methylamino]-3-pyridinyl]pyrazine-2-carboxamide
CID 167178687
3-amino-6-[4-(2-aminoethyl)phenyl]-N-[4-(3-carbamoylazetidin-1-yl)-3-pyridinyl]pyrazine-2-carboxamide
CID 167178690
3-amino-6-[4-(hydroxymethyl)phenyl]-N-phenylpyrazine-2-carboxamide
CID 59471893
3-amino-6-[4-(2-aminoethyl)phenyl]-N-(4-morpholin-4-ylquinolin-3-yl)pyrazine-2-carboxamide
CID 147979880
3-amino-6-[4-(aminomethyl)phenyl]-N-(4-morpholin-4-yl-3-pyridinyl)pyrazine-2-carboxamide
CID 137357434
2-[4-[5-amino-6-(pyridin-3-ylcarbamoyl)pyrazin-2-yl]phenyl]ethyl methanesulfonate
CID 86661489
CID 174022831
CID 174022831
3-amino-6-[4-(dipropylamino)phenyl]-N-phenylpyrazine-2-carboxamide
CID 163610371
3-amino-N-phenyl-6-pyrimidin-5-ylpyrazine-2-carboxamide
CID 59471810
N-(2-acetamidoethyl)-3-amino-6-phenylpyrazine-2-carboxamide
CID 10402476
6-(4-acetylphenyl)-3-amino-N-phenylpyrazine-2-carboxamide
CID 59472127
3-amino-6-(3-ethoxyphenyl)-N-[4-(propylamino)-3-pyridinyl]pyrazine-2-carboxamide
CID 155689401

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[4-(2-aminoethyl)phenyl]-N-(4-phenyl-3-pyridinyl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-[4-(2-aminoethyl)phenyl]-N-(4-phenyl-3-pyridinyl)pyrazine-2-carboxamide (CID 167705710) is 3-amino-6-[4-(2-aminoethyl)phenyl]-N-(4-phenyl-3-pyridinyl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-[4-(2-aminoethyl)phenyl]-N-(4-phenyl-3-pyridinyl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-[4-(2-aminoethyl)phenyl]-N-(4-phenyl-3-pyridinyl)pyrazine-2-carboxamide is NCCc1ccc(-c2cnc(N)c(C(=O)Nc3cnccc3-c3ccccc3)n2)cc1.
What is the InChIKey of 3-amino-6-[4-(2-aminoethyl)phenyl]-N-(4-phenyl-3-pyridinyl)pyrazine-2-carboxamide?
The InChIKey is AKMYQAHAESRPEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O/c25-12-10-16-6-8-18(9-7-16)20-15-28-23(26)22(29-20)24(31)30-21-14-27-13-11-19(21)17-4-2-1-3-5-17/h1-9,11,13-15H,10,12,25H2,(H2,26,28)(H,30,31).
What are the key properties of 3-amino-6-[4-(2-aminoethyl)phenyl]-N-(4-phenyl-3-pyridinyl)pyrazine-2-carboxamide?
3-amino-6-[4-(2-aminoethyl)phenyl]-N-(4-phenyl-3-pyridinyl)pyrazine-2-carboxamide has a molecular weight of 410.48 g/mol, XLogP of 3.54, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-[4-(2-aminoethyl)phenyl]-N-(4-phenyl-3-pyridinyl)pyrazine-2-carboxamide is sourced from PubChem (CID 167705710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).