6-[(5-cyanopyrazin-2-yl)amino]-N-[(3E)-2-methoxyhexa-1,3,5-trien-3-yl]-4-(piperidin-4-ylmethylamino)pyridine-3-carboxamide

C24H28N8O2 — CID 143784615

IUPAC6-[(5-cyanopyrazin-2-yl)amino]-N-[(3E)-2-methoxyhexa-1,3,5-trien-3-yl]-4-(piperidin-4-ylmethylamino)pyridine-3-carboxamide
SMILESC=C/C=C(/NC(=O)c1cnc(Nc2cnc(C#N)cn2)cc1NCC1CCNCC1)C(=C)OC
InChIInChI=1S/C24H28N8O2/c1-4-5-20(16(2)34-3)31-24(33)19-14-30-22(32-23-15-27-18(11-25)13-29-23)10-21(19)28-12-17-6-8-26-9-7-17/h4-5,10,13-15,17,26H,1-2,6-9,12H2,3H3,(H,31,33)(H2,28,29,30,32)/b20-5+
InChIKeySNKDVSBVIWDSHU-DENHBWNVSA-N
MW460.54 g/mol
LogP2.86
Rot. Bonds10

About 6-[(5-cyanopyrazin-2-yl)amino]-N-[(3E)-2-methoxyhexa-1,3,5-trien-3-yl]-4-(piperidin-4-ylmethylamino)pyridine-3-carboxamide

6-[(5-cyanopyrazin-2-yl)amino]-N-[(3E)-2-methoxyhexa-1,3,5-trien-3-yl]-4-(piperidin-4-ylmethylamino)pyridine-3-carboxamide (PubChem CID 143784615) has the molecular formula C24H28N8O2 and a molecular weight of 460.54 g/mol. Its IUPAC name is 6-[(5-cyanopyrazin-2-yl)amino]-N-[(3E)-2-methoxyhexa-1,3,5-trien-3-yl]-4-(piperidin-4-ylmethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(5-cyanopyrazin-2-yl)amino]-N-[(3E)-2-methoxyhexa-1,3,5-trien-3-yl]-4-(piperidin-4-ylmethylamino)pyridine-3-carboxamide
PubChem CID143784615
Molecular FormulaC24H28N8O2
Molecular Weight460.54 g/mol
Exact Mass460.23
IUPAC Name6-[(5-cyanopyrazin-2-yl)amino]-N-[(3E)-2-methoxyhexa-1,3,5-trien-3-yl]-4-(piperidin-4-ylmethylamino)pyridine-3-carboxamide
SMILESC=C/C=C(/NC(=O)c1cnc(Nc2cnc(C#N)cn2)cc1NCC1CCNCC1)C(=C)OC
InChIInChI=1S/C24H28N8O2/c1-4-5-20(16(2)34-3)31-24(33)19-14-30-22(32-23-15-27-18(11-25)13-29-23)10-21(19)28-12-17-6-8-26-9-7-17/h4-5,10,13-15,17,26H,1-2,6-9,12H2,3H3,(H,31,33)(H2,28,29,30,32)/b20-5+
InChIKeySNKDVSBVIWDSHU-DENHBWNVSA-N
XLogP2.86
TPSA136.88 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.54
LogP ≤ 52.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

6-[(5-cyanopyrazin-2-yl)amino]-N-(2-methoxyethyl)-4-(piperidin-4-ylmethylamino)pyridine-3-carboxamide
CID 59613342
N-[6-[(5-cyanopyrazin-2-yl)amino]-4-(piperidin-4-ylmethylamino)-3-pyridinyl]acetamide
CID 42610172
6-[(5-cyanopyrazin-2-yl)amino]-N-[4-(2-morpholin-4-ylethoxy)phenyl]-4-(piperidin-4-ylmethylamino)pyridine-3-carboxamide;ethane
CID 143784563
5-[[5-(3-hydroxy-3-methylbut-1-ynyl)-4-(piperidin-4-ylmethylamino)-2-pyridinyl]amino]pyrazine-2-carbonitrile
CID 59613386
ethane;5-[[5-(3-fluorophenyl)-4-(piperidin-4-ylmethylamino)-2-pyridinyl]amino]pyrazine-2-carbonitrile
CID 143784500
5-[[5-(piperidin-4-ylmethylamino)-6-(trifluoromethyl)pyridazin-3-yl]amino]pyrazine-2-carbonitrile;2,2,2-trifluoroacetic acid
CID 175303051
5-[[6-bromo-5-(piperidin-4-ylmethylamino)pyridazin-3-yl]amino]pyrazine-2-carbonitrile
CID 155595069
methyl 6-[(5-cyanopyrazin-2-yl)amino]-4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methylamino]pyridine-3-carboxylate
CID 59613326
ethane;5-[[5-(4-methylsulfonylphenyl)-4-(piperidin-4-ylmethylamino)-2-pyridinyl]amino]pyrazine-2-carbonitrile
CID 143784516
methyl 6-[(5-cyanopyrazin-2-yl)amino]-4-[[(2S)-morpholin-2-yl]methylamino]pyridine-3-carboxylate
CID 86338719
5-[[5-(piperidin-4-ylmethylamino)-6-(pyrrolidine-1-carbonyl)pyridazin-3-yl]amino]pyrazine-2-carbonitrile
CID 164599291
5-[[6-(3-hydroxy-3-methylbut-1-ynyl)-5-(piperidin-4-ylmethylamino)pyridazin-3-yl]amino]pyrazine-2-carbonitrile
CID 155594895

Frequently Asked Questions

What is the IUPAC name of 6-[(5-cyanopyrazin-2-yl)amino]-N-[(3E)-2-methoxyhexa-1,3,5-trien-3-yl]-4-(piperidin-4-ylmethylamino)pyridine-3-carboxamide?
The IUPAC name of 6-[(5-cyanopyrazin-2-yl)amino]-N-[(3E)-2-methoxyhexa-1,3,5-trien-3-yl]-4-(piperidin-4-ylmethylamino)pyridine-3-carboxamide (CID 143784615) is 6-[(5-cyanopyrazin-2-yl)amino]-N-[(3E)-2-methoxyhexa-1,3,5-trien-3-yl]-4-(piperidin-4-ylmethylamino)pyridine-3-carboxamide.
What is the SMILES notation for 6-[(5-cyanopyrazin-2-yl)amino]-N-[(3E)-2-methoxyhexa-1,3,5-trien-3-yl]-4-(piperidin-4-ylmethylamino)pyridine-3-carboxamide?
The canonical SMILES for 6-[(5-cyanopyrazin-2-yl)amino]-N-[(3E)-2-methoxyhexa-1,3,5-trien-3-yl]-4-(piperidin-4-ylmethylamino)pyridine-3-carboxamide is C=C/C=C(/NC(=O)c1cnc(Nc2cnc(C#N)cn2)cc1NCC1CCNCC1)C(=C)OC.
What is the InChIKey of 6-[(5-cyanopyrazin-2-yl)amino]-N-[(3E)-2-methoxyhexa-1,3,5-trien-3-yl]-4-(piperidin-4-ylmethylamino)pyridine-3-carboxamide?
The InChIKey is SNKDVSBVIWDSHU-DENHBWNVSA-N. The full InChI is InChI=1S/C24H28N8O2/c1-4-5-20(16(2)34-3)31-24(33)19-14-30-22(32-23-15-27-18(11-25)13-29-23)10-21(19)28-12-17-6-8-26-9-7-17/h4-5,10,13-15,17,26H,1-2,6-9,12H2,3H3,(H,31,33)(H2,28,29,30,32)/b20-5+.
What are the key properties of 6-[(5-cyanopyrazin-2-yl)amino]-N-[(3E)-2-methoxyhexa-1,3,5-trien-3-yl]-4-(piperidin-4-ylmethylamino)pyridine-3-carboxamide?
6-[(5-cyanopyrazin-2-yl)amino]-N-[(3E)-2-methoxyhexa-1,3,5-trien-3-yl]-4-(piperidin-4-ylmethylamino)pyridine-3-carboxamide has a molecular weight of 460.54 g/mol, XLogP of 2.86, 10 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-cyanopyrazin-2-yl)amino]-N-[(3E)-2-methoxyhexa-1,3,5-trien-3-yl]-4-(piperidin-4-ylmethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 143784615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).