5-N-[4-(2-methoxyethylamino)-2-pyridinyl]-3-N-(quinolin-6-ylmethyl)pyrazine-2,3,5-triamine

C22H24N8O — CID 139321354

IUPAC5-N-[4-(2-methoxyethylamino)-2-pyridinyl]-3-N-(quinolin-6-ylmethyl)pyrazine-2,3,5-triamine
SMILESCOCCNc1ccnc(Nc2cnc(N)c(NCc3ccc4ncccc4c3)n2)c1
InChIInChI=1S/C22H24N8O/c1-31-10-9-24-17-6-8-26-19(12-17)29-20-14-27-21(23)22(30-20)28-13-15-4-5-18-16(11-15)3-2-7-25-18/h2-8,11-12,14H,9-10,13H2,1H3,(H2,23,27)(H3,24,26,28,29,30)
InChIKeyLJBSMOQHLDORCI-UHFFFAOYSA-N
MW416.49 g/mol
LogP3.42
Rot. Bonds9

About 5-N-[4-(2-methoxyethylamino)-2-pyridinyl]-3-N-(quinolin-6-ylmethyl)pyrazine-2,3,5-triamine

5-N-[4-(2-methoxyethylamino)-2-pyridinyl]-3-N-(quinolin-6-ylmethyl)pyrazine-2,3,5-triamine (PubChem CID 139321354) has the molecular formula C22H24N8O and a molecular weight of 416.49 g/mol. Its IUPAC name is 5-N-[4-(2-methoxyethylamino)-2-pyridinyl]-3-N-(quinolin-6-ylmethyl)pyrazine-2,3,5-triamine.

Molecular Properties

Compound Name5-N-[4-(2-methoxyethylamino)-2-pyridinyl]-3-N-(quinolin-6-ylmethyl)pyrazine-2,3,5-triamine
PubChem CID139321354
Molecular FormulaC22H24N8O
Molecular Weight416.49 g/mol
Exact Mass416.21
IUPAC Name5-N-[4-(2-methoxyethylamino)-2-pyridinyl]-3-N-(quinolin-6-ylmethyl)pyrazine-2,3,5-triamine
SMILESCOCCNc1ccnc(Nc2cnc(N)c(NCc3ccc4ncccc4c3)n2)c1
InChIInChI=1S/C22H24N8O/c1-31-10-9-24-17-6-8-26-19(12-17)29-20-14-27-21(23)22(30-20)28-13-15-4-5-18-16(11-15)3-2-7-25-18/h2-8,11-12,14H,9-10,13H2,1H3,(H2,23,27)(H3,24,26,28,29,30)
InChIKeyLJBSMOQHLDORCI-UHFFFAOYSA-N
XLogP3.42
TPSA122.90 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 53.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-N-[4-(2-methoxyethylamino)-2-pyridinyl]-3-N-(quinolin-6-ylmethyl)pyrazine-2,3,5-triamine with MolForge

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Related Compounds

2-[[2-[[5-amino-6-(quinolin-6-ylmethylamino)pyrazin-2-yl]amino]-4-pyridinyl]oxy]ethanol
CID 139321348
5-N-[2-(oxolan-3-ylamino)-4-pyridinyl]-3-N-(quinolin-6-ylmethyl)pyrazine-2,3,5-triamine
CID 139321423
5-N-(6-morpholin-4-yl-2-pyridinyl)-3-N-(quinolin-6-ylmethyl)pyrazine-2,3,5-triamine
CID 139321434
2-[[5-diazenyl-6-(quinolin-6-ylmethylamino)pyrazin-2-yl]amino]-N-methylpyridine-4-carboxamide
CID 139321257
4-[[4-[[5-hydrazinyl-6-(quinolin-6-ylmethylamino)pyrazin-2-yl]amino]-2-pyridinyl]amino]oxolan-3-ol
CID 123917924
3-diazenyl-6-N-[4-(2-methoxyethoxy)-3-pyridinyl]-2-N-(quinolin-6-ylmethyl)pyrazine-2,6-diamine
CID 139321349
6-[6-(2-methoxyethoxy)-3-pyridinyl]-2-N-(quinolin-6-ylmethyl)pyridine-2,3-diamine
CID 139321368
3-bromo-5-methoxy-N-(quinolin-6-ylmethyl)aniline
CID 82860690
2-chloro-4-N-(quinolin-6-ylmethyl)pyrimidine-4,5-diamine
CID 59627820
4-methoxy-N-(quinolin-6-ylmethyl)butan-2-amine
CID 62733913
N-[(3,4-dimethylphenyl)methyl]quinolin-6-amine
CID 62634241
3,5-dimethyl-N-(quinolin-6-ylmethyl)aniline
CID 28776356

Frequently Asked Questions

What is the IUPAC name of 5-N-[4-(2-methoxyethylamino)-2-pyridinyl]-3-N-(quinolin-6-ylmethyl)pyrazine-2,3,5-triamine?
The IUPAC name of 5-N-[4-(2-methoxyethylamino)-2-pyridinyl]-3-N-(quinolin-6-ylmethyl)pyrazine-2,3,5-triamine (CID 139321354) is 5-N-[4-(2-methoxyethylamino)-2-pyridinyl]-3-N-(quinolin-6-ylmethyl)pyrazine-2,3,5-triamine.
What is the SMILES notation for 5-N-[4-(2-methoxyethylamino)-2-pyridinyl]-3-N-(quinolin-6-ylmethyl)pyrazine-2,3,5-triamine?
The canonical SMILES for 5-N-[4-(2-methoxyethylamino)-2-pyridinyl]-3-N-(quinolin-6-ylmethyl)pyrazine-2,3,5-triamine is COCCNc1ccnc(Nc2cnc(N)c(NCc3ccc4ncccc4c3)n2)c1.
What is the InChIKey of 5-N-[4-(2-methoxyethylamino)-2-pyridinyl]-3-N-(quinolin-6-ylmethyl)pyrazine-2,3,5-triamine?
The InChIKey is LJBSMOQHLDORCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N8O/c1-31-10-9-24-17-6-8-26-19(12-17)29-20-14-27-21(23)22(30-20)28-13-15-4-5-18-16(11-15)3-2-7-25-18/h2-8,11-12,14H,9-10,13H2,1H3,(H2,23,27)(H3,24,26,28,29,30).
What are the key properties of 5-N-[4-(2-methoxyethylamino)-2-pyridinyl]-3-N-(quinolin-6-ylmethyl)pyrazine-2,3,5-triamine?
5-N-[4-(2-methoxyethylamino)-2-pyridinyl]-3-N-(quinolin-6-ylmethyl)pyrazine-2,3,5-triamine has a molecular weight of 416.49 g/mol, XLogP of 3.42, 9 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[4-(2-methoxyethylamino)-2-pyridinyl]-3-N-(quinolin-6-ylmethyl)pyrazine-2,3,5-triamine is sourced from PubChem (CID 139321354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).