N-[4-[4-(2-pyridin-3-yloxyethylamino)piperidin-1-yl]phenyl]pyrazine-2-carboxamide

C23H26N6O2 — CID 42480012

IUPACN-[4-[4-(2-pyridin-3-yloxyethylamino)piperidin-1-yl]phenyl]pyrazine-2-carboxamide
SMILESO=C(Nc1ccc(N2CCC(NCCOc3cccnc3)CC2)cc1)c1cnccn1
InChIInChI=1S/C23H26N6O2/c30-23(22-17-25-10-11-27-22)28-19-3-5-20(6-4-19)29-13-7-18(8-14-29)26-12-15-31-21-2-1-9-24-16-21/h1-6,9-11,16-18,26H,7-8,12-15H2,(H,28,30)
InChIKeyFJUFGLFVNRNBNB-UHFFFAOYSA-N
MW418.50 g/mol
LogP2.76
Rot. Bonds8

About N-[4-[4-(2-pyridin-3-yloxyethylamino)piperidin-1-yl]phenyl]pyrazine-2-carboxamide

N-[4-[4-(2-pyridin-3-yloxyethylamino)piperidin-1-yl]phenyl]pyrazine-2-carboxamide (PubChem CID 42480012) has the molecular formula C23H26N6O2 and a molecular weight of 418.50 g/mol. Its IUPAC name is N-[4-[4-(2-pyridin-3-yloxyethylamino)piperidin-1-yl]phenyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[4-(2-pyridin-3-yloxyethylamino)piperidin-1-yl]phenyl]pyrazine-2-carboxamide
PubChem CID42480012
Molecular FormulaC23H26N6O2
Molecular Weight418.50 g/mol
Exact Mass418.21
IUPAC NameN-[4-[4-(2-pyridin-3-yloxyethylamino)piperidin-1-yl]phenyl]pyrazine-2-carboxamide
SMILESO=C(Nc1ccc(N2CCC(NCCOc3cccnc3)CC2)cc1)c1cnccn1
InChIInChI=1S/C23H26N6O2/c30-23(22-17-25-10-11-27-22)28-19-3-5-20(6-4-19)29-13-7-18(8-14-29)26-12-15-31-21-2-1-9-24-16-21/h1-6,9-11,16-18,26H,7-8,12-15H2,(H,28,30)
InChIKeyFJUFGLFVNRNBNB-UHFFFAOYSA-N
XLogP2.76
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-phenoxyphenyl)pyrazine-2-carboxamide
CID 862103
N-(2-ethoxyphenyl)pyrazine-2-carboxamide
CID 862099
Quinoxaline-2-carboxylic acid {4-[4-(2-methoxy-phenyl)-piperazin-1-yl]-butyl}-amide
CID 11112574
3-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-phenoxypyridine-2-carboxamide
CID 72725607
N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]pyridine-2-carboxamide
CID 145976533
N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyrazine-2-carboxamide
CID 168291911
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)pyrazine-2-carboxamide
CID 2392153
N-[3-[(5-carbamoyl-3-pyridinyl)oxymethyl]phenyl]pyrazine-2-carboxamide
CID 124156461
N-[(2S)-1-methoxypropan-2-yl]-3-[4-(pyridin-2-ylamino)phenoxy]pyrazine-2-carboxamide
CID 59374193
US10023559, Example 77
CID 118903705
N-[4-[4-(2,4-difluorophenoxy)piperidin-1-yl]-6-methyl-3-pyridinyl]-5-methoxypyrazine-2-carboxamide
CID 151188052
3-amino-N-[4-[(3S,4S)-4-amino-3-methoxypiperidin-1-yl]-3-pyridinyl]-6-[3-(trifluoromethoxy)-2-pyridinyl]pyrazine-2-carboxamide
CID 169552826

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2-pyridin-3-yloxyethylamino)piperidin-1-yl]phenyl]pyrazine-2-carboxamide?
The IUPAC name of N-[4-[4-(2-pyridin-3-yloxyethylamino)piperidin-1-yl]phenyl]pyrazine-2-carboxamide (CID 42480012) is N-[4-[4-(2-pyridin-3-yloxyethylamino)piperidin-1-yl]phenyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[4-[4-(2-pyridin-3-yloxyethylamino)piperidin-1-yl]phenyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[4-[4-(2-pyridin-3-yloxyethylamino)piperidin-1-yl]phenyl]pyrazine-2-carboxamide is O=C(Nc1ccc(N2CCC(NCCOc3cccnc3)CC2)cc1)c1cnccn1.
What is the InChIKey of N-[4-[4-(2-pyridin-3-yloxyethylamino)piperidin-1-yl]phenyl]pyrazine-2-carboxamide?
The InChIKey is FJUFGLFVNRNBNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O2/c30-23(22-17-25-10-11-27-22)28-19-3-5-20(6-4-19)29-13-7-18(8-14-29)26-12-15-31-21-2-1-9-24-16-21/h1-6,9-11,16-18,26H,7-8,12-15H2,(H,28,30).
What are the key properties of N-[4-[4-(2-pyridin-3-yloxyethylamino)piperidin-1-yl]phenyl]pyrazine-2-carboxamide?
N-[4-[4-(2-pyridin-3-yloxyethylamino)piperidin-1-yl]phenyl]pyrazine-2-carboxamide has a molecular weight of 418.50 g/mol, XLogP of 2.76, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2-pyridin-3-yloxyethylamino)piperidin-1-yl]phenyl]pyrazine-2-carboxamide is sourced from PubChem (CID 42480012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).