3-[4-[1-[2-(2-hydroxyethoxy)ethyl]piperidin-4-yl]anilino]-5-piperidin-1-ylpyrazine-2-carboxamide

C25H36N6O3 — CID 129156495

IUPAC3-[4-[1-[2-(2-hydroxyethoxy)ethyl]piperidin-4-yl]anilino]-5-piperidin-1-ylpyrazine-2-carboxamide
SMILESNC(=O)c1ncc(N2CCCCC2)nc1Nc1ccc(C2CCN(CCOCCO)CC2)cc1
InChIInChI=1S/C25H36N6O3/c26-24(33)23-25(29-22(18-27-23)31-10-2-1-3-11-31)28-21-6-4-19(5-7-21)20-8-12-30(13-9-20)14-16-34-17-15-32/h4-7,18,20,32H,1-3,8-17H2,(H2,26,33)(H,28,29)
InChIKeyHWHRZZJLBXVKDH-UHFFFAOYSA-N
MW468.60 g/mol
LogP2.50
Rot. Bonds10

About 3-[4-[1-[2-(2-hydroxyethoxy)ethyl]piperidin-4-yl]anilino]-5-piperidin-1-ylpyrazine-2-carboxamide

3-[4-[1-[2-(2-hydroxyethoxy)ethyl]piperidin-4-yl]anilino]-5-piperidin-1-ylpyrazine-2-carboxamide (PubChem CID 129156495) has the molecular formula C25H36N6O3 and a molecular weight of 468.60 g/mol. Its IUPAC name is 3-[4-[1-[2-(2-hydroxyethoxy)ethyl]piperidin-4-yl]anilino]-5-piperidin-1-ylpyrazine-2-carboxamide.

Molecular Properties

Compound Name3-[4-[1-[2-(2-hydroxyethoxy)ethyl]piperidin-4-yl]anilino]-5-piperidin-1-ylpyrazine-2-carboxamide
PubChem CID129156495
Molecular FormulaC25H36N6O3
Molecular Weight468.60 g/mol
Exact Mass468.28
IUPAC Name3-[4-[1-[2-(2-hydroxyethoxy)ethyl]piperidin-4-yl]anilino]-5-piperidin-1-ylpyrazine-2-carboxamide
SMILESNC(=O)c1ncc(N2CCCCC2)nc1Nc1ccc(C2CCN(CCOCCO)CC2)cc1
InChIInChI=1S/C25H36N6O3/c26-24(33)23-25(29-22(18-27-23)31-10-2-1-3-11-31)28-21-6-4-19(5-7-21)20-8-12-30(13-9-20)14-16-34-17-15-32/h4-7,18,20,32H,1-3,8-17H2,(H2,26,33)(H,28,29)
InChIKeyHWHRZZJLBXVKDH-UHFFFAOYSA-N
XLogP2.50
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.60
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

(R)-5-(3-(3-Methyl-2-oxoimidazolidin-1-YL)piperidin-1-YL)-3-((4-(piperidin-4-YL)phenyl)amino)pyrazine-2-carboxamide
CID 118114824
3-amino-N-[3-(4-aminopiperidin-1-yl)pyridin-2-yl]-6-[5-morpholin-4-yl-2-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 118873218
3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(3-morpholin-4-ylphenyl)pyrazine-2-carboxamide
CID 118873234
3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)pyridin-2-yl]-6-[5-morpholin-4-yl-2-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 118873350
5-(Piperidin-1-yl)-3-((4-(piperidin-4-yl)phenyl)amino)pyrazine-2-carboxamide
CID 144857998
6-((2-hydroxyethyl)(methyl)amino)-N-(2-methyl-2-phenylpropyl)pyrazine-2-carboxamide
CID 44438593
5-[(2R)-4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]-N-(1-hydroxy-2-methylpropan-2-yl)pyrazine-2-carboxamide
CID 59191465
N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]pyrazine-2-carboxamide
CID 90409657
3-(6-azaspiro[2.5]octan-6-yl)-N-(4-cyclopropyl-6-morpholin-4-yl-2-pyridinyl)-5-[(1-hydroxy-2-methylpropan-2-yl)amino]pyrazine-2-carboxamide
CID 147495453
3-(6-azaspiro[2.5]octan-6-yl)-5-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-(4-methyl-6-morpholin-4-yl-2-pyridinyl)pyrazine-2-carboxamide
CID 153625454
3-(6-azaspiro[2.5]octan-6-yl)-5-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-(3-morpholin-4-ylphenyl)pyrazine-2-carboxamide
CID 155781053
N-[4-isopropyl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]-5-methyl-pyrazine-2-carboxamide
CID 53311384

Frequently Asked Questions

What is the IUPAC name of 3-[4-[1-[2-(2-hydroxyethoxy)ethyl]piperidin-4-yl]anilino]-5-piperidin-1-ylpyrazine-2-carboxamide?
The IUPAC name of 3-[4-[1-[2-(2-hydroxyethoxy)ethyl]piperidin-4-yl]anilino]-5-piperidin-1-ylpyrazine-2-carboxamide (CID 129156495) is 3-[4-[1-[2-(2-hydroxyethoxy)ethyl]piperidin-4-yl]anilino]-5-piperidin-1-ylpyrazine-2-carboxamide.
What is the SMILES notation for 3-[4-[1-[2-(2-hydroxyethoxy)ethyl]piperidin-4-yl]anilino]-5-piperidin-1-ylpyrazine-2-carboxamide?
The canonical SMILES for 3-[4-[1-[2-(2-hydroxyethoxy)ethyl]piperidin-4-yl]anilino]-5-piperidin-1-ylpyrazine-2-carboxamide is NC(=O)c1ncc(N2CCCCC2)nc1Nc1ccc(C2CCN(CCOCCO)CC2)cc1.
What is the InChIKey of 3-[4-[1-[2-(2-hydroxyethoxy)ethyl]piperidin-4-yl]anilino]-5-piperidin-1-ylpyrazine-2-carboxamide?
The InChIKey is HWHRZZJLBXVKDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N6O3/c26-24(33)23-25(29-22(18-27-23)31-10-2-1-3-11-31)28-21-6-4-19(5-7-21)20-8-12-30(13-9-20)14-16-34-17-15-32/h4-7,18,20,32H,1-3,8-17H2,(H2,26,33)(H,28,29).
What are the key properties of 3-[4-[1-[2-(2-hydroxyethoxy)ethyl]piperidin-4-yl]anilino]-5-piperidin-1-ylpyrazine-2-carboxamide?
3-[4-[1-[2-(2-hydroxyethoxy)ethyl]piperidin-4-yl]anilino]-5-piperidin-1-ylpyrazine-2-carboxamide has a molecular weight of 468.60 g/mol, XLogP of 2.50, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[1-[2-(2-hydroxyethoxy)ethyl]piperidin-4-yl]anilino]-5-piperidin-1-ylpyrazine-2-carboxamide is sourced from PubChem (CID 129156495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).