2-[(2R)-2-(4-fluorophenyl)propyl]-N-(3-hydroxypropyl)-6-(pyrazin-2-ylmethyl)pyridine-4-carboxamide

C23H25FN4O2 — CID 58521701

IUPAC2-[(2R)-2-(4-fluorophenyl)propyl]-N-(3-hydroxypropyl)-6-(pyrazin-2-ylmethyl)pyridine-4-carboxamide
SMILESC[C@H](Cc1cc(C(=O)NCCCO)cc(Cc2cnccn2)n1)c1ccc(F)cc1
InChIInChI=1S/C23H25FN4O2/c1-16(17-3-5-19(24)6-4-17)11-20-12-18(23(30)27-7-2-10-29)13-21(28-20)14-22-15-25-8-9-26-22/h3-6,8-9,12-13,15-16,29H,2,7,10-11,14H2,1H3,(H,27,30)/t16-/m1/s1
InChIKeyHVWQXZWZBXZWHC-MRXNPFEDSA-N
MW408.48 g/mol
LogP3.06
Rot. Bonds9

About 2-[(2R)-2-(4-fluorophenyl)propyl]-N-(3-hydroxypropyl)-6-(pyrazin-2-ylmethyl)pyridine-4-carboxamide

2-[(2R)-2-(4-fluorophenyl)propyl]-N-(3-hydroxypropyl)-6-(pyrazin-2-ylmethyl)pyridine-4-carboxamide (PubChem CID 58521701) has the molecular formula C23H25FN4O2 and a molecular weight of 408.48 g/mol. Its IUPAC name is 2-[(2R)-2-(4-fluorophenyl)propyl]-N-(3-hydroxypropyl)-6-(pyrazin-2-ylmethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[(2R)-2-(4-fluorophenyl)propyl]-N-(3-hydroxypropyl)-6-(pyrazin-2-ylmethyl)pyridine-4-carboxamide
PubChem CID58521701
Molecular FormulaC23H25FN4O2
Molecular Weight408.48 g/mol
Exact Mass408.20
IUPAC Name2-[(2R)-2-(4-fluorophenyl)propyl]-N-(3-hydroxypropyl)-6-(pyrazin-2-ylmethyl)pyridine-4-carboxamide
SMILESC[C@H](Cc1cc(C(=O)NCCCO)cc(Cc2cnccn2)n1)c1ccc(F)cc1
InChIInChI=1S/C23H25FN4O2/c1-16(17-3-5-19(24)6-4-17)11-20-12-18(23(30)27-7-2-10-29)13-21(28-20)14-22-15-25-8-9-26-22/h3-6,8-9,12-13,15-16,29H,2,7,10-11,14H2,1H3,(H,27,30)/t16-/m1/s1
InChIKeyHVWQXZWZBXZWHC-MRXNPFEDSA-N
XLogP3.06
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-(4-fluorophenyl)propyl]-N-(3-hydroxypropyl)-6-(pyrazin-2-ylmethyl)pyridine-4-carboxamide?
The IUPAC name of 2-[(2R)-2-(4-fluorophenyl)propyl]-N-(3-hydroxypropyl)-6-(pyrazin-2-ylmethyl)pyridine-4-carboxamide (CID 58521701) is 2-[(2R)-2-(4-fluorophenyl)propyl]-N-(3-hydroxypropyl)-6-(pyrazin-2-ylmethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-[(2R)-2-(4-fluorophenyl)propyl]-N-(3-hydroxypropyl)-6-(pyrazin-2-ylmethyl)pyridine-4-carboxamide?
The canonical SMILES for 2-[(2R)-2-(4-fluorophenyl)propyl]-N-(3-hydroxypropyl)-6-(pyrazin-2-ylmethyl)pyridine-4-carboxamide is C[C@H](Cc1cc(C(=O)NCCCO)cc(Cc2cnccn2)n1)c1ccc(F)cc1.
What is the InChIKey of 2-[(2R)-2-(4-fluorophenyl)propyl]-N-(3-hydroxypropyl)-6-(pyrazin-2-ylmethyl)pyridine-4-carboxamide?
The InChIKey is HVWQXZWZBXZWHC-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H25FN4O2/c1-16(17-3-5-19(24)6-4-17)11-20-12-18(23(30)27-7-2-10-29)13-21(28-20)14-22-15-25-8-9-26-22/h3-6,8-9,12-13,15-16,29H,2,7,10-11,14H2,1H3,(H,27,30)/t16-/m1/s1.
What are the key properties of 2-[(2R)-2-(4-fluorophenyl)propyl]-N-(3-hydroxypropyl)-6-(pyrazin-2-ylmethyl)pyridine-4-carboxamide?
2-[(2R)-2-(4-fluorophenyl)propyl]-N-(3-hydroxypropyl)-6-(pyrazin-2-ylmethyl)pyridine-4-carboxamide has a molecular weight of 408.48 g/mol, XLogP of 3.06, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-(4-fluorophenyl)propyl]-N-(3-hydroxypropyl)-6-(pyrazin-2-ylmethyl)pyridine-4-carboxamide is sourced from PubChem (CID 58521701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).