6-[(5-aminopyrazin-2-yl)amino]-N-(3-methoxyphenyl)-4-(piperidin-4-ylmethylamino)pyridine-3-carboxamide

C23H28N8O2 — CID 71022176

IUPAC6-[(5-aminopyrazin-2-yl)amino]-N-(3-methoxyphenyl)-4-(piperidin-4-ylmethylamino)pyridine-3-carboxamide
SMILESCOc1cccc(NC(=O)c2cnc(Nc3cnc(N)cn3)cc2NCC2CCNCC2)c1
InChIInChI=1S/C23H28N8O2/c1-33-17-4-2-3-16(9-17)30-23(32)18-12-28-21(31-22-14-27-20(24)13-29-22)10-19(18)26-11-15-5-7-25-8-6-15/h2-4,9-10,12-15,25H,5-8,11H2,1H3,(H2,24,27)(H,30,32)(H2,26,28,29,31)
InChIKeyQBZHXESSSPELGV-UHFFFAOYSA-N
MW448.53 g/mol
LogP2.87
Rot. Bonds8

About 6-[(5-aminopyrazin-2-yl)amino]-N-(3-methoxyphenyl)-4-(piperidin-4-ylmethylamino)pyridine-3-carboxamide

6-[(5-aminopyrazin-2-yl)amino]-N-(3-methoxyphenyl)-4-(piperidin-4-ylmethylamino)pyridine-3-carboxamide (PubChem CID 71022176) has the molecular formula C23H28N8O2 and a molecular weight of 448.53 g/mol. Its IUPAC name is 6-[(5-aminopyrazin-2-yl)amino]-N-(3-methoxyphenyl)-4-(piperidin-4-ylmethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(5-aminopyrazin-2-yl)amino]-N-(3-methoxyphenyl)-4-(piperidin-4-ylmethylamino)pyridine-3-carboxamide
PubChem CID71022176
Molecular FormulaC23H28N8O2
Molecular Weight448.53 g/mol
Exact Mass448.23
IUPAC Name6-[(5-aminopyrazin-2-yl)amino]-N-(3-methoxyphenyl)-4-(piperidin-4-ylmethylamino)pyridine-3-carboxamide
SMILESCOc1cccc(NC(=O)c2cnc(Nc3cnc(N)cn3)cc2NCC2CCNCC2)c1
InChIInChI=1S/C23H28N8O2/c1-33-17-4-2-3-16(9-17)30-23(32)18-12-28-21(31-22-14-27-20(24)13-29-22)10-19(18)26-11-15-5-7-25-8-6-15/h2-4,9-10,12-15,25H,5-8,11H2,1H3,(H2,24,27)(H,30,32)(H2,26,28,29,31)
InChIKeyQBZHXESSSPELGV-UHFFFAOYSA-N
XLogP2.87
TPSA139.11 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.53
LogP ≤ 52.87
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

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Related Compounds

6-[(5-aminopyrazin-2-yl)amino]-N-(3-morpholin-4-ylphenyl)-4-(piperidin-4-ylmethylamino)pyridine-3-carboxamide
CID 71022180
1-(2,6-dimethylphenyl)-N-(3-methoxyphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20924243
N-[5-(3-methoxyanilino)-2-pyridinyl]cyclobutanecarboxamide
CID 113034101
N-(3-methoxyphenyl)-6-methyl-4-(methylamino)pyridine-3-carboxamide
CID 81235873
N-[6-(cyclopropanecarbonylamino)-3-pyridinyl]-3-methoxybenzamide
CID 1452890
N-[6-[(5-cyanopyrazin-2-yl)amino]-4-(piperidin-4-ylmethylamino)-3-pyridinyl]acetamide
CID 42610172
6-(3-methoxyanilino)-N-(oxan-4-ylmethyl)-4-propan-2-ylpyridine-3-carboxamide
CID 44569924
2-[ethyl(piperidin-4-ylmethyl)amino]-N-(3-methoxyphenyl)acetamide;hydrochloride
CID 119929477
5-hydrazinyl-N-(3-methoxyphenyl)pyrazine-2-carboxamide
CID 107377927
N-(3-methoxyphenyl)-1-(4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20953833
5-(3,5-dimethylanilino)-N-(3-methoxyphenyl)pyrazine-2-carboxamide
CID 109291177
N-(3-chlorophenyl)-5-(3-methoxyanilino)pyrazine-2-carboxamide
CID 109292721

Frequently Asked Questions

What is the IUPAC name of 6-[(5-aminopyrazin-2-yl)amino]-N-(3-methoxyphenyl)-4-(piperidin-4-ylmethylamino)pyridine-3-carboxamide?
The IUPAC name of 6-[(5-aminopyrazin-2-yl)amino]-N-(3-methoxyphenyl)-4-(piperidin-4-ylmethylamino)pyridine-3-carboxamide (CID 71022176) is 6-[(5-aminopyrazin-2-yl)amino]-N-(3-methoxyphenyl)-4-(piperidin-4-ylmethylamino)pyridine-3-carboxamide.
What is the SMILES notation for 6-[(5-aminopyrazin-2-yl)amino]-N-(3-methoxyphenyl)-4-(piperidin-4-ylmethylamino)pyridine-3-carboxamide?
The canonical SMILES for 6-[(5-aminopyrazin-2-yl)amino]-N-(3-methoxyphenyl)-4-(piperidin-4-ylmethylamino)pyridine-3-carboxamide is COc1cccc(NC(=O)c2cnc(Nc3cnc(N)cn3)cc2NCC2CCNCC2)c1.
What is the InChIKey of 6-[(5-aminopyrazin-2-yl)amino]-N-(3-methoxyphenyl)-4-(piperidin-4-ylmethylamino)pyridine-3-carboxamide?
The InChIKey is QBZHXESSSPELGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N8O2/c1-33-17-4-2-3-16(9-17)30-23(32)18-12-28-21(31-22-14-27-20(24)13-29-22)10-19(18)26-11-15-5-7-25-8-6-15/h2-4,9-10,12-15,25H,5-8,11H2,1H3,(H2,24,27)(H,30,32)(H2,26,28,29,31).
What are the key properties of 6-[(5-aminopyrazin-2-yl)amino]-N-(3-methoxyphenyl)-4-(piperidin-4-ylmethylamino)pyridine-3-carboxamide?
6-[(5-aminopyrazin-2-yl)amino]-N-(3-methoxyphenyl)-4-(piperidin-4-ylmethylamino)pyridine-3-carboxamide has a molecular weight of 448.53 g/mol, XLogP of 2.87, 8 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-aminopyrazin-2-yl)amino]-N-(3-methoxyphenyl)-4-(piperidin-4-ylmethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 71022176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).