2-[[5-diazenyl-6-(quinolin-6-ylmethylamino)pyrazin-2-yl]amino]-N-methylpyridine-4-carboxamide

C21H19N9O — CID 139321257

IUPAC2-[[5-diazenyl-6-(quinolin-6-ylmethylamino)pyrazin-2-yl]amino]-N-methylpyridine-4-carboxamide
SMILES[H]/N=N/c1ncc(Nc2cc(C(=O)NC)ccn2)nc1NCc1ccc2ncccc2c1
InChIInChI=1S/C21H19N9O/c1-23-21(31)15-6-8-25-17(10-15)28-18-12-27-20(30-22)19(29-18)26-11-13-4-5-16-14(9-13)3-2-7-24-16/h2-10,12,22H,11H2,1H3,(H,23,31)(H2,25,26,28,29)/b30-22+
InChIKeyOXGAGKGUAIFVAP-JBASAIQMSA-N
MW413.45 g/mol
LogP3.80
Rot. Bonds7

About 2-[[5-diazenyl-6-(quinolin-6-ylmethylamino)pyrazin-2-yl]amino]-N-methylpyridine-4-carboxamide

2-[[5-diazenyl-6-(quinolin-6-ylmethylamino)pyrazin-2-yl]amino]-N-methylpyridine-4-carboxamide (PubChem CID 139321257) has the molecular formula C21H19N9O and a molecular weight of 413.45 g/mol. Its IUPAC name is 2-[[5-diazenyl-6-(quinolin-6-ylmethylamino)pyrazin-2-yl]amino]-N-methylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-[[5-diazenyl-6-(quinolin-6-ylmethylamino)pyrazin-2-yl]amino]-N-methylpyridine-4-carboxamide
PubChem CID139321257
Molecular FormulaC21H19N9O
Molecular Weight413.45 g/mol
Exact Mass413.17
IUPAC Name2-[[5-diazenyl-6-(quinolin-6-ylmethylamino)pyrazin-2-yl]amino]-N-methylpyridine-4-carboxamide
SMILES[H]/N=N/c1ncc(Nc2cc(C(=O)NC)ccn2)nc1NCc1ccc2ncccc2c1
InChIInChI=1S/C21H19N9O/c1-23-21(31)15-6-8-25-17(10-15)28-18-12-27-20(30-22)19(29-18)26-11-13-4-5-16-14(9-13)3-2-7-24-16/h2-10,12,22H,11H2,1H3,(H,23,31)(H2,25,26,28,29)/b30-22+
InChIKeyOXGAGKGUAIFVAP-JBASAIQMSA-N
XLogP3.80
TPSA140.93 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.45
LogP ≤ 53.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

3-diazenyl-6-N-[4-(2-methoxyethoxy)-3-pyridinyl]-2-N-(quinolin-6-ylmethyl)pyrazine-2,6-diamine
CID 139321349
6-bromo-3-diazenyl-N-(quinolin-6-ylmethyl)pyrazin-2-amine
CID 147859211
2-[[2-[[5-amino-6-(quinolin-6-ylmethylamino)pyrazin-2-yl]amino]-4-pyridinyl]oxy]ethanol
CID 139321348
5-N-[4-(2-methoxyethylamino)-2-pyridinyl]-3-N-(quinolin-6-ylmethyl)pyrazine-2,3,5-triamine
CID 139321354
trans-(1R,2R)-2-[[5-diazenyl-6-(quinolin-6-ylmethylamino)-2-pyridinyl]amino]cyclopentan-1-ol
CID 163885686
2-[1-[5-diazenyl-6-(quinolin-6-ylmethylamino)-2-pyridinyl]ethylideneamino]oxyethanol
CID 123299489
4-[5-diazenyl-6-(quinolin-6-ylmethylamino)-2-pyridinyl]-2,6-difluoro-N-(2-hydroxy-2-methylpropoxy)benzamide
CID 123958809
4-[5-diazenyl-6-(quinolin-6-ylmethylamino)-2-pyridinyl]-N-(2-hydroxyethoxy)-2-methylbenzamide
CID 123969609
2-(methylamino)-N-quinolin-6-ylpyridine-4-carboxamide
CID 62640761
N-methyl-2-[[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]methyl]pyridine-4-carboxamide
CID 153129012
2-chloro-4-[5-diazenyl-6-(quinolin-6-ylmethylamino)-2-pyridinyl]-N-(2-hydroxyethoxy)benzamide
CID 155371997
2,2-dimethyl-N-(quinolin-6-ylmethyl)propanamide
CID 110470774

Frequently Asked Questions

What is the IUPAC name of 2-[[5-diazenyl-6-(quinolin-6-ylmethylamino)pyrazin-2-yl]amino]-N-methylpyridine-4-carboxamide?
The IUPAC name of 2-[[5-diazenyl-6-(quinolin-6-ylmethylamino)pyrazin-2-yl]amino]-N-methylpyridine-4-carboxamide (CID 139321257) is 2-[[5-diazenyl-6-(quinolin-6-ylmethylamino)pyrazin-2-yl]amino]-N-methylpyridine-4-carboxamide.
What is the SMILES notation for 2-[[5-diazenyl-6-(quinolin-6-ylmethylamino)pyrazin-2-yl]amino]-N-methylpyridine-4-carboxamide?
The canonical SMILES for 2-[[5-diazenyl-6-(quinolin-6-ylmethylamino)pyrazin-2-yl]amino]-N-methylpyridine-4-carboxamide is [H]/N=N/c1ncc(Nc2cc(C(=O)NC)ccn2)nc1NCc1ccc2ncccc2c1.
What is the InChIKey of 2-[[5-diazenyl-6-(quinolin-6-ylmethylamino)pyrazin-2-yl]amino]-N-methylpyridine-4-carboxamide?
The InChIKey is OXGAGKGUAIFVAP-JBASAIQMSA-N. The full InChI is InChI=1S/C21H19N9O/c1-23-21(31)15-6-8-25-17(10-15)28-18-12-27-20(30-22)19(29-18)26-11-13-4-5-16-14(9-13)3-2-7-24-16/h2-10,12,22H,11H2,1H3,(H,23,31)(H2,25,26,28,29)/b30-22+.
What are the key properties of 2-[[5-diazenyl-6-(quinolin-6-ylmethylamino)pyrazin-2-yl]amino]-N-methylpyridine-4-carboxamide?
2-[[5-diazenyl-6-(quinolin-6-ylmethylamino)pyrazin-2-yl]amino]-N-methylpyridine-4-carboxamide has a molecular weight of 413.45 g/mol, XLogP of 3.80, 7 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-diazenyl-6-(quinolin-6-ylmethylamino)pyrazin-2-yl]amino]-N-methylpyridine-4-carboxamide is sourced from PubChem (CID 139321257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).