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

C26H33N9O2 — CID 71022180

IUPAC6-[(5-aminopyrazin-2-yl)amino]-N-(3-morpholin-4-ylphenyl)-4-(piperidin-4-ylmethylamino)pyridine-3-carboxamide
SMILESNc1cnc(Nc2cc(NCC3CCNCC3)c(C(=O)Nc3cccc(N4CCOCC4)c3)cn2)cn1
InChIInChI=1S/C26H33N9O2/c27-23-16-32-25(17-30-23)34-24-13-22(29-14-18-4-6-28-7-5-18)21(15-31-24)26(36)33-19-2-1-3-20(12-19)35-8-10-37-11-9-35/h1-3,12-13,15-18,28H,4-11,14H2,(H2,27,30)(H,33,36)(H2,29,31,32,34)
InChIKeyVXVOKGOBQPSKJX-UHFFFAOYSA-N
MW503.61 g/mol
LogP2.70
Rot. Bonds8

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

6-[(5-aminopyrazin-2-yl)amino]-N-(3-morpholin-4-ylphenyl)-4-(piperidin-4-ylmethylamino)pyridine-3-carboxamide (PubChem CID 71022180) has the molecular formula C26H33N9O2 and a molecular weight of 503.61 g/mol. Its IUPAC name is 6-[(5-aminopyrazin-2-yl)amino]-N-(3-morpholin-4-ylphenyl)-4-(piperidin-4-ylmethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(5-aminopyrazin-2-yl)amino]-N-(3-morpholin-4-ylphenyl)-4-(piperidin-4-ylmethylamino)pyridine-3-carboxamide
PubChem CID71022180
Molecular FormulaC26H33N9O2
Molecular Weight503.61 g/mol
Exact Mass503.28
IUPAC Name6-[(5-aminopyrazin-2-yl)amino]-N-(3-morpholin-4-ylphenyl)-4-(piperidin-4-ylmethylamino)pyridine-3-carboxamide
SMILESNc1cnc(Nc2cc(NCC3CCNCC3)c(C(=O)Nc3cccc(N4CCOCC4)c3)cn2)cn1
InChIInChI=1S/C26H33N9O2/c27-23-16-32-25(17-30-23)34-24-13-22(29-14-18-4-6-28-7-5-18)21(15-31-24)26(36)33-19-2-1-3-20(12-19)35-8-10-37-11-9-35/h1-3,12-13,15-18,28H,4-11,14H2,(H2,27,30)(H,33,36)(H2,29,31,32,34)
InChIKeyVXVOKGOBQPSKJX-UHFFFAOYSA-N
XLogP2.70
TPSA142.35 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.61
LogP ≤ 52.70
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 6-[(5-aminopyrazin-2-yl)amino]-N-(3-morpholin-4-ylphenyl)-4-(piperidin-4-ylmethylamino)pyridine-3-carboxamide?
The IUPAC name of 6-[(5-aminopyrazin-2-yl)amino]-N-(3-morpholin-4-ylphenyl)-4-(piperidin-4-ylmethylamino)pyridine-3-carboxamide (CID 71022180) is 6-[(5-aminopyrazin-2-yl)amino]-N-(3-morpholin-4-ylphenyl)-4-(piperidin-4-ylmethylamino)pyridine-3-carboxamide.
What is the SMILES notation for 6-[(5-aminopyrazin-2-yl)amino]-N-(3-morpholin-4-ylphenyl)-4-(piperidin-4-ylmethylamino)pyridine-3-carboxamide?
The canonical SMILES for 6-[(5-aminopyrazin-2-yl)amino]-N-(3-morpholin-4-ylphenyl)-4-(piperidin-4-ylmethylamino)pyridine-3-carboxamide is Nc1cnc(Nc2cc(NCC3CCNCC3)c(C(=O)Nc3cccc(N4CCOCC4)c3)cn2)cn1.
What is the InChIKey of 6-[(5-aminopyrazin-2-yl)amino]-N-(3-morpholin-4-ylphenyl)-4-(piperidin-4-ylmethylamino)pyridine-3-carboxamide?
The InChIKey is VXVOKGOBQPSKJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N9O2/c27-23-16-32-25(17-30-23)34-24-13-22(29-14-18-4-6-28-7-5-18)21(15-31-24)26(36)33-19-2-1-3-20(12-19)35-8-10-37-11-9-35/h1-3,12-13,15-18,28H,4-11,14H2,(H2,27,30)(H,33,36)(H2,29,31,32,34).
What are the key properties of 6-[(5-aminopyrazin-2-yl)amino]-N-(3-morpholin-4-ylphenyl)-4-(piperidin-4-ylmethylamino)pyridine-3-carboxamide?
6-[(5-aminopyrazin-2-yl)amino]-N-(3-morpholin-4-ylphenyl)-4-(piperidin-4-ylmethylamino)pyridine-3-carboxamide has a molecular weight of 503.61 g/mol, XLogP of 2.70, 8 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-aminopyrazin-2-yl)amino]-N-(3-morpholin-4-ylphenyl)-4-(piperidin-4-ylmethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 71022180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).